From c10fb1cf26cf04916561a8f729fc9ccdb81c3f0a Mon Sep 17 00:00:00 2001 From: Jim Procter Date: Fri, 20 Jan 2023 17:48:04 +0000 Subject: [PATCH] JAL-4114 updated mock tests and responses for v2.0 api --- .../fts/service/pdb/PDBFTSRestClientTest.java | 95 +- .../threedbeacons/TDBeaconsFTSRestClientTest.java | 9 +- .../fts/threedbeacons/p01308_pdbfts_query.txt | 1 - .../fts/threedbeacons/p01308_pdbfts_query_pt1.txt | 1 + .../threedbeacons/p01308_pdbfts_query_pt1_resp.txt | 171 ++ .../fts/threedbeacons/p01308_pdbfts_query_pt2.txt | 3 + ...s_resp.txt => p01308_pdbfts_query_pt2_resp.txt} | 2724 +++++++++---------- .../threedbeacons/p01308_tdb_fts_query_resp.txt | 2 +- .../threedbeacons/p0dtd1_pdbfts_fts_query_pt1.txt | 3 +- .../p0dtd1_pdbfts_fts_query_pt1_resp.txt | 2530 ++++++++--------- .../threedbeacons/p0dtd1_pdbfts_fts_query_pt2.txt | 3 +- .../p0dtd1_pdbfts_fts_query_pt2_resp.txt | 2849 ++++++++----------- .../threedbeacons/p0dtd1_pdbfts_fts_query_pt3.txt | 2 +- .../p0dtd1_pdbfts_fts_query_pt3_resp.txt | 2860 ++++++++++---------- .../threedbeacons/p0dtd1_pdbfts_fts_query_pt4.txt | 2 +- .../p0dtd1_pdbfts_fts_query_pt4_resp.txt | 1987 ++++++++++---- .../threedbeacons/p0dtd1_pdbfts_fts_query_pt5.txt | 1 + .../threedbeacons/p0dtd1_tdb_fts_query_resp.txt | 2 +- .../threedbeacons/p27787_tdb_fts_query_resp.txt | 1 + .../threedbeacons/p38398_tdb_fts_query_resp.txt | 2 +- .../StructureChooserQuerySourceTest.java | 21 +- 21 files changed, 6899 insertions(+), 6370 deletions(-) delete mode 100644 test/jalview/fts/threedbeacons/p01308_pdbfts_query.txt create mode 100644 test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt1.txt create mode 100644 test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt1_resp.txt create mode 100644 test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt2.txt rename test/jalview/fts/threedbeacons/{p01308_pdbfts_resp.txt => p01308_pdbfts_query_pt2_resp.txt} (86%) create mode 100644 test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt5.txt create mode 100644 test/jalview/fts/threedbeacons/p27787_tdb_fts_query_resp.txt diff --git a/test/jalview/fts/service/pdb/PDBFTSRestClientTest.java b/test/jalview/fts/service/pdb/PDBFTSRestClientTest.java index 355eae5..3839065 100644 --- a/test/jalview/fts/service/pdb/PDBFTSRestClientTest.java +++ b/test/jalview/fts/service/pdb/PDBFTSRestClientTest.java @@ -732,15 +732,18 @@ public class PDBFTSRestClientTest try { - mocks.add( - new String[] - { readJsonStringFromFile( - "test/jalview/fts/threedbeacons/p01308_pdbfts_query.txt") - .trim(), - readJsonStringFromFile( - "test/jalview/fts/threedbeacons/p01308_pdbfts_resp.txt") - .trim() }); - for (int i = 1; i < 5; i++) + for (int i = 1; i < 3; i++) + { + mocks.add( + new String[] + { readJsonStringFromFile( + "test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt" + + i + ".txt").trim(), + readJsonStringFromFile( + "test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt" + + i + "_resp.txt").trim() }); + } + for (int i = 1; i < 6; i++) { mocks.add( @@ -752,11 +755,83 @@ public class PDBFTSRestClientTest "test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt" + i + "_resp.txt").trim() }); } + // maize + mocks.add( + new String[] + { "https://www.ebi.ac.uk/pdbe/search/pdb/select?wt=json&fl=pdb_id,title,experimental_method,resolution&rows=500&start=0&q=(1gaq+OR+5h92+OR+3b2f+OR+3w5u+OR+5h8y+OR+3w5v)+AND+molecule_sequence:%5B''+TO+*%5D+AND+status:REL&sort=", + "{\n" + " \"responseHeader\":{\n" + " \"status\":0,\n" + + " \"QTime\":0,\n" + " \"params\":{\n" + + " \"q\":\"(1gaq OR 5h92 OR 3b2f OR 3w5u OR 5h8y OR 3w5v) AND molecule_sequence:['' TO *] AND status:REL\",\n" + + " \"fl\":\"pdb_id,title,experimental_method,resolution\",\n" + + " \"start\":\"0\",\n" + + " \"sort\":\"\",\n" + + " \"rows\":\"500\",\n" + + " \"wt\":\"json\"}},\n" + + " \"response\":{\"numFound\":11,\"start\":0,\"docs\":[\n" + + " {\n" + + " \"experimental_method\":[\"X-ray diffraction\"],\n" + + " \"pdb_id\":\"3b2f\",\n" + + " \"resolution\":1.7,\n" + + " \"title\":\"Maize Ferredoxin 1\"},\n" + + " {\n" + + " \"experimental_method\":[\"X-ray diffraction\"],\n" + + " \"pdb_id\":\"5h92\",\n" + + " \"resolution\":2.08,\n" + + " \"title\":\"Crystal structure of the complex between maize Sulfite Reductase and ferredoxin in the form-3 crystal\"},\n" + + " {\n" + + " \"experimental_method\":[\"X-ray diffraction\"],\n" + + " \"pdb_id\":\"5h8y\",\n" + + " \"resolution\":2.2,\n" + + " \"title\":\"Crystal structure of the complex between maize sulfite reductase and ferredoxin in the form-2 crystal\"},\n" + + " {\n" + + " \"experimental_method\":[\"X-ray diffraction\"],\n" + + " \"pdb_id\":\"1gaq\",\n" + + " \"resolution\":2.59,\n" + + " \"title\":\"CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN FERREDOXIN AND FERREDOXIN-NADP+ REDUCTASE\"},\n" + + " {\n" + + " \"experimental_method\":[\"X-ray diffraction\"],\n" + + " \"pdb_id\":\"3w5u\",\n" + + " \"resolution\":2.7,\n" + + " \"title\":\"Cross-linked complex between Ferredoxin and Ferredoxin-NADP+ reductase\"},\n" + + " {\n" + + " \"experimental_method\":[\"X-ray diffraction\"],\n" + + " \"pdb_id\":\"3w5v\",\n" + + " \"resolution\":3.81,\n" + + " \"title\":\"Cross-linked complex between Ferredoxin and Ferredoxin-NADP+ reductase\"},\n" + + " {\n" + + " \"experimental_method\":[\"X-ray diffraction\"],\n" + + " \"pdb_id\":\"3w5u\",\n" + + " \"resolution\":2.7,\n" + + " \"title\":\"Cross-linked complex between Ferredoxin and Ferredoxin-NADP+ reductase\"},\n" + + " {\n" + + " \"experimental_method\":[\"X-ray diffraction\"],\n" + + " \"pdb_id\":\"3w5v\",\n" + + " \"resolution\":3.81,\n" + + " \"title\":\"Cross-linked complex between Ferredoxin and Ferredoxin-NADP+ reductase\"},\n" + + " {\n" + + " \"experimental_method\":[\"X-ray diffraction\"],\n" + + " \"pdb_id\":\"1gaq\",\n" + + " \"resolution\":2.59,\n" + + " \"title\":\"CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN FERREDOXIN AND FERREDOXIN-NADP+ REDUCTASE\"},\n" + + " {\n" + + " \"experimental_method\":[\"X-ray diffraction\"],\n" + + " \"pdb_id\":\"5h92\",\n" + + " \"resolution\":2.08,\n" + + " \"title\":\"Crystal structure of the complex between maize Sulfite Reductase and ferredoxin in the form-3 crystal\"},\n" + + " {\n" + + " \"experimental_method\":[\"X-ray diffraction\"],\n" + + " \"pdb_id\":\"5h8y\",\n" + + " \"resolution\":2.2,\n" + + " \"title\":\"Crystal structure of the complex between maize sulfite reductase and ferredoxin in the form-2 crystal\"}]\n" + + " }}" }); } catch (Throwable e) { Assert.fail("Couldn't read mock data.", e); } - + /* + * updating mocks for p0dtd1 require very long URLs to be queried + for i in test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt?.txt; do wget -i $i -O ${i/.txt/_resp.txt}; done + */ FTSRestClient.createMockFTSRestClient( (FTSRestClient) PDBFTSRestClient.getInstance(), mocks.toArray(new String[0][2])); diff --git a/test/jalview/fts/threedbeacons/TDBeaconsFTSRestClientTest.java b/test/jalview/fts/threedbeacons/TDBeaconsFTSRestClientTest.java index aaf91ef..c37058a 100644 --- a/test/jalview/fts/threedbeacons/TDBeaconsFTSRestClientTest.java +++ b/test/jalview/fts/threedbeacons/TDBeaconsFTSRestClientTest.java @@ -300,7 +300,8 @@ public class TDBeaconsFTSRestClientTest private static String[][] mocks = { { "P38398.json", null }, { "P01308.json", null }, - { "P0DTD1.json", null } + { "P0DTD1.json", null }, + { "P27787.json", null } // , { "P0DTD3.json", "{}" } actually results in 404, but {} is in body }; @@ -318,6 +319,9 @@ public class TDBeaconsFTSRestClientTest mocks[2][1] = PDBFTSRestClientTest.readJsonStringFromFile( "test/jalview/fts/threedbeacons/p0dtd1_tdb_fts_query_resp.txt"); + mocks[3][1] = PDBFTSRestClientTest.readJsonStringFromFile( + "test/jalview/fts/threedbeacons/p27787_tdb_fts_query_resp.txt"); + } catch (IOException e) { Assert.fail("Couldn't read mock response data", e); @@ -360,6 +364,9 @@ public class TDBeaconsFTSRestClientTest URL tdb_req = new URL(prod_url + mockRequest); byte[] resp = tdb_req.openStream().readAllBytes(); String tresp = new String(resp, StandardCharsets.UTF_8); + // this simple test fails for responses containing multi-chain structures - + // since chain order in the json elements is arbitrary and varies between + // queries. assertEquals(_mockResponse.trim(), tresp.trim()); } diff --git a/test/jalview/fts/threedbeacons/p01308_pdbfts_query.txt b/test/jalview/fts/threedbeacons/p01308_pdbfts_query.txt deleted file mode 100644 index d69c6dc..0000000 --- a/test/jalview/fts/threedbeacons/p01308_pdbfts_query.txt +++ /dev/null @@ -1 +0,0 @@ -https://www.ebi.ac.uk/pdbe/search/pdb/select?wt=json&fl=pdb_id,title,experimental_method,resolution&rows=500&start=0&q=(5hpu+OR+2jmn+OR+4iuz+OR+6s34+OR+1efe+OR+6ce7+OR+1w8p+OR+1evr+OR+1hls+OR+5hpr+OR+7jp3+OR+3v19+OR+5bts+OR+3q6e+OR+2m1d+OR+2m1e+OR+2n2v+OR+2n2w+OR+2n2x+OR+1t1p+OR+1t1q+OR+2rn5+OR+2m2o+OR+4une+OR+3v1g+OR+2m2p+OR+4unh+OR+5t7r+OR+4ung+OR+4gbi+OR+4rxw+OR+4gbl+OR+4gbk+OR+4gbn+OR+3aiy+OR+1ioh+OR+1iog+OR+5wob+OR+4gbc+OR+2m2m+OR+2m2n+OR+5hqi+OR+2hiu+OR+6ce9+OR+4z76+OR+4z78+OR+4z77+OR+2kqp+OR+2kqq+OR+5en9+OR+6k59+OR+1mhj+OR+1mhi+OR+5hrq+OR+6ceb+OR+1jca+OR+4p65+OR+1k3m+OR+3kq6+OR+6s4i+OR+4f0o+OR+6s4j+OR+4f0n+OR+6gnq+OR+5ems+OR+2mvc+OR+2mvd+OR+1sf1+OR+3hyd+OR+2l1y+OR+1uz9+OR+2l1z+OR+7nhu+OR+3w80+OR+4aiy+OR+3utq+OR+7stj+OR+3ilg+OR+7stk+OR+5cjo+OR+7sth+OR+4ak0+OR+7sti+OR+6b3q+OR+4f1g+OR+4wdi+OR+1jco+OR+1vkt+OR+6tyh+OR+4iyd+OR+5ena+OR+4f1b+OR+4f1a+OR+4iyf+OR+4f1d+OR+4f1c+OR+4f1f+OR+4ajx+OR+4ajz+OR+1ben+OR+1tyl+OR+1tym+OR+2vk0+OR+6bfc+OR+2om0+OR+2om1+OR+3uts+OR+3utt+OR+3tt8+OR+2omh+OR+2omi+OR+3u4n+OR+6o17+OR+4fg3+OR+2vjz+OR+4oga+OR+2lgb+OR+6ck2+OR+2omg+OR+5uoz+OR+2oly+OR+1zeg+OR+2olz+OR+3inc+OR+1zeh+OR+4akj+OR+4f51+OR+3w7y+OR+3rov+OR+3w7z+OR+6b70+OR+5co9+OR+1j73+OR+5aiy+OR+5co2+OR+1os4+OR+5uqa+OR+1os3+OR+4f4t+OR+2jv1+OR+5co6+OR+4f4v+OR+7bw7+OR+5wdm+OR+7bw8+OR+1rwe+OR+2ceu+OR+2omq+OR+2r34+OR+2r35+OR+7s4y+OR+2r36+OR+5cny+OR+2juu+OR+2juv+OR+5mt9+OR+2jum+OR+3exx+OR+3ir0+OR+1htv+OR+5mt3+OR+7bwa+OR+3zqr+OR+6h3m+OR+1lkq+OR+5mam+OR+3zs2+OR+2mli+OR+1ai0+OR+5usp+OR+5uu2+OR+5uu4+OR+5uu3+OR+3e7y+OR+3e7z+OR+4ex0+OR+3jsd+OR+6gv0+OR+4ex1+OR+2kxk+OR+1sjt+OR+1q4v+OR+1sju+OR+5uru+OR+5urt+OR+6jk8+OR+1xda+OR+6z7y+OR+1hui+OR+5hyj+OR+6z7w+OR+4ey9+OR+4eww+OR+1a7f+OR+2k91+OR+4nib+OR+1b9e+OR+4ewx+OR+4ewz+OR+4ey1+OR+1jk8+OR+5uss+OR+5usv+OR+3zu1+OR+6p4z+OR+4efx+OR+6x4x+OR+1xw7+OR+2kjj+OR+1kmf+OR+4eyd+OR+1fu2+OR+4exx+OR+2wc0+OR+2ws6+OR+1qj0+OR+2ws7+OR+2c8q+OR+2c8r+OR+5udp+OR+5boq+OR+7sl2+OR+4f8f+OR+7sl3+OR+2ws0+OR+2ws1+OR+7sl1+OR+1guj+OR+7sl6+OR+7sl7+OR+2ws4+OR+7sl4+OR+1lph+OR+2wby+OR+1qiz+OR+1qiy+OR+3i40+OR+2k9r+OR+6sof+OR+2wru+OR+4fka+OR+4eyp+OR+2wrv+OR+2wrw+OR+2wrx+OR+1xgl+OR+5bpo+OR+1aiy+OR+7pg0+OR+5c0d+OR+7pg4+OR+2kju+OR+7pg2+OR+4eyn+OR+7pg3+OR+7mqs+OR+3fq9+OR+3i3z+OR+3p33+OR+1hiq+OR+2mpg+OR+5mwq+OR+2mpi+OR+7mqr+OR+7mqo+OR+1mso+OR+7qid+OR+2h67+OR+6vep+OR+5bqq+OR+6ves+OR+4y19+OR+6vet+OR+1fub+OR+6ver+OR+6tc2+OR+1t0c+OR+1ev6+OR+1ev3+OR+2aiy+OR+3zi3+OR+5viz+OR+2g54+OR+4y1a+OR+6nwv+OR+5mhd+OR+2g56+OR+3bxq+OR+4cy7+OR+1hit+OR+1his+OR+2hh4+OR+6u46+OR+3w11+OR+2w44+OR+3w12+OR+3w13+OR+6hn5+OR+2hho+OR+5e7w+OR+1t1k+OR+4xc4+OR+6jr3+OR+1trz+OR+2qiu+OR+1g7b+OR+1g7a+OR+4cxl+OR+3p2x+OR+4cxn+OR+7md4+OR+1znj+OR+7md5)+AND+molecule_sequence:%5B''+TO+*%5D+AND+status:REL&sort= diff --git a/test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt1.txt b/test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt1.txt new file mode 100644 index 0000000..99e00c2 --- /dev/null +++ b/test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt1.txt @@ -0,0 +1 @@ +https://www.ebi.ac.uk/pdbe/search/pdb/select?wt=json&fl=pdb_id,title,experimental_method,resolution&rows=500&start=0&q=(5e7w+OR+1t1k+OR+4xc4+OR+6jr3+OR+1trz+OR+2qiu+OR+1g7b+OR+1g7a+OR+4cxl+OR+3p2x+OR+4cxn+OR+7md4+OR+1znj+OR+7md5)+AND+molecule_sequence:%5B''+TO+*%5D+AND+status:REL&sort= diff --git a/test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt1_resp.txt b/test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt1_resp.txt new file mode 100644 index 0000000..0dc5eca --- /dev/null +++ b/test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt1_resp.txt @@ -0,0 +1,171 @@ +{ + "responseHeader":{ + "status":0, + "QTime":16, + "params":{ + "q":"(5e7w OR 1t1k OR 4xc4 OR 6jr3 OR 1trz OR 2qiu OR 1g7b OR 1g7a OR 4cxl OR 3p2x OR 4cxn OR 7md4 OR 1znj OR 7md5) AND molecule_sequence:['' TO *] AND status:REL", + "fl":"pdb_id,title,experimental_method,resolution", + "start":"0", + "sort":"", + "rows":"500", + "wt":"json"}}, + "response":{"numFound":32,"start":0,"docs":[ + { + "experimental_method":["Solution NMR"], + "pdb_id":"1t1k", + "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-ALA, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"1t1k", + "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-ALA, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"2qiu", + "resolution":2.0, + "title":"Structure of Human Arg-Insulin"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6jr3", + "resolution":14.5, + "title":"Crystal structure of insulin hexamer fitted into cryo EM density map where each dimer was kept as rigid body"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"2qiu", + "resolution":2.0, + "title":"Structure of Human Arg-Insulin"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6jr3", + "resolution":14.5, + "title":"Crystal structure of insulin hexamer fitted into cryo EM density map where each dimer was kept as rigid body"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"4cxn", + "resolution":1.7, + "title":"Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form I"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"4cxn", + "resolution":1.7, + "title":"Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form I"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"4cxl", + "resolution":1.5, + "title":"Human insulin analogue (D-ProB8)-insulin"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"4cxl", + "resolution":1.5, + "title":"Human insulin analogue (D-ProB8)-insulin"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"1trz", + "resolution":1.6, + "title":"CRYSTALLOGRAPHIC EVIDENCE FOR DUAL COORDINATION AROUND ZINC IN THE T3R3 HUMAN INSULIN HEXAMER"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"1trz", + "resolution":1.6, + "title":"CRYSTALLOGRAPHIC EVIDENCE FOR DUAL COORDINATION AROUND ZINC IN THE T3R3 HUMAN INSULIN HEXAMER"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"1znj", + "resolution":2.0, + "title":"INSULIN, MONOCLINIC CRYSTAL FORM"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"1znj", + "resolution":2.0, + "title":"INSULIN, MONOCLINIC CRYSTAL FORM"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"1g7b", + "resolution":1.3, + "title":"1.3 A STRUCTURE OF T3R3 HUMAN INSULIN AT 100 K"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"1g7b", + "resolution":1.3, + "title":"1.3 A STRUCTURE OF T3R3 HUMAN INSULIN AT 100 K"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"1g7a", + "resolution":1.2, + "title":"1.2 A structure of T3R3 human insulin at 100 K"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"1g7a", + "resolution":1.2, + "title":"1.2 A structure of T3R3 human insulin at 100 K"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"4xc4", + "resolution":1.499, + "title":"Insulin co-crystallizes in the presence of it beta-cell chaperone sulfatide"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"4xc4", + "resolution":1.499, + "title":"Insulin co-crystallizes in the presence of it beta-cell chaperone sulfatide"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"3p2x", + "resolution":2.0, + "title":"Insulin fibrillation is the Janus face of induced fit. A chiaral clamp stabilizes the native state at the expense of activity"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"3p2x", + "resolution":2.0, + "title":"Insulin fibrillation is the Janus face of induced fit. A chiaral clamp stabilizes the native state at the expense of activity"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7md4", + "resolution":4.5, + "title":"Insulin receptor ectodomain dimer complexed with two IRPA-3 partial agonists"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7md4", + "resolution":4.5, + "title":"Insulin receptor ectodomain dimer complexed with two IRPA-3 partial agonists"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7md4", + "resolution":4.5, + "title":"Insulin receptor ectodomain dimer complexed with two IRPA-3 partial agonists"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7md4", + "resolution":4.5, + "title":"Insulin receptor ectodomain dimer complexed with two IRPA-3 partial agonists"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7md5", + "resolution":5.2, + "title":"Insulin receptor ectodomain dimer complexed with two IRPA-9 partial agonists"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7md5", + "resolution":5.2, + "title":"Insulin receptor ectodomain dimer complexed with two IRPA-9 partial agonists"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7md5", + "resolution":5.2, + "title":"Insulin receptor ectodomain dimer complexed with two IRPA-9 partial agonists"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5e7w", + "resolution":0.9519, + "title":"X-ray Structure of Human Recombinant 2Zn insulin at 0.92 Angstrom"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5e7w", + "resolution":0.9519, + "title":"X-ray Structure of Human Recombinant 2Zn insulin at 0.92 Angstrom"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7md5", + "resolution":5.2, + "title":"Insulin receptor ectodomain dimer complexed with two IRPA-9 partial agonists"}] + }} diff --git a/test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt2.txt b/test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt2.txt new file mode 100644 index 0000000..12a84d3 --- /dev/null +++ b/test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt2.txt @@ -0,0 +1,3 @@ +https://www.ebi.ac.uk/pdbe/search/pdb/select?wt=json&fl=pdb_id,title,experimental_method,resolution&rows=500&start=0&q=(5hpu+OR+2jmn+OR+4iuz+OR+6s34+OR+1efe+OR+6ce7+OR+1w8p+OR+1evr+OR+8guy+OR+1hls+OR+5hpr+OR+7jp3+OR+3v19+OR+5bts+OR+3q6e+OR+2m1d+OR+2m1e+OR+2n2v+OR+2n2w+OR+2n2x+OR+1t1p+OR+1t1q+OR+2rn5+OR+2m2o+OR+4une+OR+3v1g+OR+2m2p+OR+4unh+OR+5t7r+OR+4ung+OR+4gbi+OR+4rxw+OR+4gbl+OR+4gbk+OR+4gbn+OR+3aiy+OR+1ioh+OR+1iog+OR+5wob+OR+4gbc+OR+2m2m+OR+2m2n+OR+5hqi+OR+2hiu+OR+6ce9+OR+4z76+OR+4z78+OR+4z77+OR+2kqp+OR+2kqq+OR+5en9+OR+6k59+OR+1mhj+OR+1mhi+OR+5hrq+OR+6ceb+OR+1jca+OR+4p65+OR+1k3m+OR+3kq6+OR+6s4i+OR+4f0o+OR+6s4j+OR+4f0n+OR+6gnq+OR+5ems+OR+2mvc+OR+2mvd+OR+1sf1+OR+3hyd+OR+2l1y+OR+1uz9+OR+2l1z+OR+7kd6+OR+7nhu+OR+3w80+OR+4aiy+OR+3utq+OR+7stj+OR+3ilg+OR+7stk+OR+5cjo+OR+7sth+OR+4ak0+OR+7sti+OR+6b3q+OR+4f1g+OR+4wdi+OR+1jco+OR+1vkt+OR+6tyh+OR+7u6e+OR+4iyd+OR+5ena+OR+4f1b+OR+4f1a+OR+4iyf+OR+4f1d+OR+7yq5+OR+4f1c+OR+4f1f+OR+7yq3+OR+7yq4+OR+4ajx+OR+4ajz+OR+1ben+OR+1tyl+OR+1tym+OR+2vk0+OR+6bfc+OR+2om0+OR+2om1+OR+3uts+OR+3utt+OR+3tt8+OR+2omh+OR+2omi+OR+3u4n+OR+6o17+OR+4fg3+OR+2vjz+OR+4oga+OR+2lgb+OR+6ck2+OR+2omg+OR+5uoz+OR+2oly+OR+1zeg+OR+2olz+OR+3inc+OR+1zeh+OR+4akj+OR+4f51+OR+3w7y+OR+3rov+OR+3w7z+OR+6b70+OR+5co9+OR+1j73+OR+5aiy+OR+5co2+OR+1os4+OR+5uqa+OR+1os3+OR+4f4t+OR+2jv1+OR+5co6+OR+4f4v+OR+7bw7+OR+5wdm+OR+7bw8+OR+1rwe+OR+2ceu+OR+2omq+OR+2r34+OR+8ez0+OR+2r35+OR+7s4y+OR+2r36+OR+5cny+OR+2juu+OR+2juv+OR+5mt9+OR+2jum+OR+3exx+OR+3ir0+OR+1htv+OR+5mt3+OR+7bwa+OR+3zqr+OR+6h3m+OR+8eyx+OR+1lkq+OR+8eyy+OR+5mam+OR+3zs2+OR+2mli+OR+1ai0+OR+5usp+OR+5uu2+OR+5uu4+OR+5uu3+OR+3e7y+OR+3e7z+OR+4ex0+OR+3jsd+OR+6gv0+OR+4ex1+OR+2kxk+OR+1sjt+OR+1q4v+OR+1sju+OR+5uru+OR+5urt+OR+6jk8+OR+1xda+OR+6z7y+OR+1hui+OR+5hyj+OR+6z7w+OR+4ey9+OR+4eww+OR+1a7f+OR+2k91+OR+4nib+OR+1b9e+OR+4ewx+OR+4ewz+OR+4ey1+OR+1jk8+OR+5uss+OR+5usv+OR+3zu1+OR+6p4z+OR+4efx+OR+6x4x+OR+1xw7+OR+2kjj+OR+7qgf+OR+1kmf+OR+4eyd+OR+1fu2+OR+4exx+OR+2wc0+OR+2ws6+OR+1qj0+OR+2ws7+OR+2c8q+OR+2c8r+OR+5udp+OR+5boq+OR+7sl2+OR+4f8f+OR+7sl3+OR+2ws0+OR+2ws1+OR+7sl1+OR+1guj+OR+7sl6+OR+7sl7+OR+2ws4+OR+7sl4+OR+1lph+OR+2wby+OR+1qiz+OR+1qiy+OR+3i40+OR+2k9r+OR+6sof+OR+2wru+OR+7rzi+OR+4fka+OR+4eyp+OR+2wrv+OR+2wrw+OR+2wrx+OR+1xgl+OR+5bpo+OR+1aiy+OR+7pg0+OR+5c0d+OR+7rze+OR+7pg4+OR+2kju+OR+7rzf+OR+7pg2+OR+4eyn+OR+7pg3+OR+7mqs+OR+3fq9+OR+3i3z+OR+3p33+OR+1hiq+OR+2mpg+OR+5mwq+OR+2mpi+OR+7mqr+OR+7rkd+OR+7mqo+OR+1mso+OR+7qid+OR+2h67+OR+6vep+OR+5bqq+OR+6ves+OR+4y19+OR+6vet+OR+1fub+OR+6ver+OR+6tc2+OR+1t0c+OR+1ev6+OR+1ev3+OR+2aiy+OR+3zi3+OR+5viz+OR+2g54+OR+4y1a+OR+6nwv+OR+5mhd+OR+2g56+OR+3bxq+OR+4cy7+OR+1hit+OR+1his+OR+2hh4+OR+6u46+OR+3w11+OR+2w44+OR+3w12+OR+3w13+OR+6hn5+OR+2hho+OR+7v3p)+AND+molecule_sequence:%5B''+TO+*%5D+AND+status:REL&sort= + + diff --git a/test/jalview/fts/threedbeacons/p01308_pdbfts_resp.txt b/test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt2_resp.txt similarity index 86% rename from test/jalview/fts/threedbeacons/p01308_pdbfts_resp.txt rename to test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt2_resp.txt index 9649c5d..e190702 100644 --- a/test/jalview/fts/threedbeacons/p01308_pdbfts_resp.txt +++ b/test/jalview/fts/threedbeacons/p01308_pdbfts_query_pt2_resp.txt @@ -1,15 +1,15 @@ { "responseHeader":{ "status":0, - "QTime":11, + "QTime":5, "params":{ - "q":"(5hpu OR 2jmn OR 4iuz OR 6s34 OR 1efe OR 6ce7 OR 1w8p OR 1evr OR 1hls OR 5hpr OR 7jp3 OR 3v19 OR 5bts OR 3q6e OR 2m1d OR 2m1e OR 2n2v OR 2n2w OR 2n2x OR 1t1p OR 1t1q OR 2rn5 OR 2m2o OR 4une OR 3v1g OR 2m2p OR 4unh OR 5t7r OR 4ung OR 4gbi OR 4rxw OR 4gbl OR 4gbk OR 4gbn OR 3aiy OR 1ioh OR 1iog OR 5wob OR 4gbc OR 2m2m OR 2m2n OR 5hqi OR 2hiu OR 6ce9 OR 4z76 OR 4z78 OR 4z77 OR 2kqp OR 2kqq OR 5en9 OR 6k59 OR 1mhj OR 1mhi OR 5hrq OR 6ceb OR 1jca OR 4p65 OR 1k3m OR 3kq6 OR 6s4i OR 4f0o OR 6s4j OR 4f0n OR 6gnq OR 5ems OR 2mvc OR 2mvd OR 1sf1 OR 3hyd OR 2l1y OR 1uz9 OR 2l1z OR 7nhu OR 3w80 OR 4aiy OR 3utq OR 3ilg OR 5cjo OR 4ak0 OR 6b3q OR 4f1g OR 4wdi OR 1jco OR 1vkt OR 6tyh OR 4iyd OR 5ena OR 4f1b OR 4f1a OR 4iyf OR 4f1d OR 4f1c OR 4f1f OR 4ajx OR 4ajz OR 1ben OR 1tyl OR 1tym OR 2vk0 OR 6bfc OR 2om0 OR 2om1 OR 3uts OR 3utt OR 3tt8 OR 2omh OR 2omi OR 3u4n OR 6o17 OR 4fg3 OR 2vjz OR 4oga OR 2lgb OR 6ck2 OR 2omg OR 5uoz OR 2oly OR 1zeg OR 2olz OR 3inc OR 1zeh OR 4akj OR 4f51 OR 3w7y OR 3rov OR 3w7z OR 6b70 OR 5co9 OR 1j73 OR 5aiy OR 5co2 OR 1os4 OR 5uqa OR 1os3 OR 4f4t OR 2jv1 OR 5co6 OR 4f4v OR 7bw7 OR 5wdm OR 7bw8 OR 1rwe OR 2ceu OR 2omq OR 2r34 OR 2r35 OR 7s4y OR 2r36 OR 5cny OR 2juu OR 2juv OR 5mt9 OR 2jum OR 3exx OR 3ir0 OR 1htv OR 5mt3 OR 7bwa OR 3zqr OR 6h3m OR 1lkq OR 5mam OR 3zs2 OR 2mli OR 1ai0 OR 5usp OR 5uu2 OR 5uu4 OR 5uu3 OR 3e7y OR 3e7z OR 4ex0 OR 3jsd OR 6gv0 OR 4ex1 OR 2kxk OR 1sjt OR 1q4v OR 1sju OR 5uru OR 5urt OR 6jk8 OR 1xda OR 6z7y OR 1hui OR 5hyj OR 6z7w OR 4ey9 OR 4eww OR 1a7f OR 2k91 OR 4nib OR 1b9e OR 4ewx OR 4ewz OR 4ey1 OR 1jk8 OR 5uss OR 5usv OR 3zu1 OR 6p4z OR 4efx OR 6x4x OR 1xw7 OR 2kjj OR 1kmf OR 4eyd OR 1fu2 OR 4exx OR 2wc0 OR 2ws6 OR 1qj0 OR 2ws7 OR 2c8q OR 2c8r OR 5udp OR 5boq OR 4f8f OR 2ws0 OR 2ws1 OR 1guj OR 2ws4 OR 1lph OR 2wby OR 1qiz OR 1qiy OR 3i40 OR 2k9r OR 6sof OR 2wru OR 4fka OR 4eyp OR 2wrv OR 2wrw OR 2wrx OR 1xgl OR 5bpo OR 1aiy OR 7pg0 OR 5c0d OR 7pg4 OR 2kju OR 7pg2 OR 4eyn OR 7pg3 OR 3fq9 OR 3i3z OR 3p33 OR 1hiq OR 2mpg OR 5mwq OR 2mpi OR 1mso OR 7qid OR 2h67 OR 6vep OR 5bqq OR 6ves OR 4y19 OR 6vet OR 1fub OR 6ver OR 6tc2 OR 1t0c OR 1ev6 OR 1ev3 OR 2aiy OR 3zi3 OR 5viz OR 2g54 OR 4y1a OR 6nwv OR 5mhd OR 2g56 OR 3bxq OR 4cy7 OR 1hit OR 1his OR 2hh4 OR 6u46 OR 3w11 OR 2w44 OR 3w12 OR 3w13 OR 6hn5 OR 2hho OR 5e7w OR 1t1k OR 4xc4 OR 6jr3 OR 1trz OR 2qiu OR 1g7b OR 1g7a OR 4cxl OR 3p2x OR 4cxn OR 7md4 OR 1znj OR 7md5) AND molecule_sequence:['' TO *] AND status:REL", + "q":"(5hpu OR 2jmn OR 4iuz OR 6s34 OR 1efe OR 6ce7 OR 1w8p OR 1evr OR 8guy OR 1hls OR 5hpr OR 7jp3 OR 3v19 OR 5bts OR 3q6e OR 2m1d OR 2m1e OR 2n2v OR 2n2w OR 2n2x OR 1t1p OR 1t1q OR 2rn5 OR 2m2o OR 4une OR 3v1g OR 2m2p OR 4unh OR 5t7r OR 4ung OR 4gbi OR 4rxw OR 4gbl OR 4gbk OR 4gbn OR 3aiy OR 1ioh OR 1iog OR 5wob OR 4gbc OR 2m2m OR 2m2n OR 5hqi OR 2hiu OR 6ce9 OR 4z76 OR 4z78 OR 4z77 OR 2kqp OR 2kqq OR 5en9 OR 6k59 OR 1mhj OR 1mhi OR 5hrq OR 6ceb OR 1jca OR 4p65 OR 1k3m OR 3kq6 OR 6s4i OR 4f0o OR 6s4j OR 4f0n OR 6gnq OR 5ems OR 2mvc OR 2mvd OR 1sf1 OR 3hyd OR 2l1y OR 1uz9 OR 2l1z OR 7kd6 OR 7nhu OR 3w80 OR 4aiy OR 3utq OR 7stj OR 3ilg OR 7stk OR 5cjo OR 7sth OR 4ak0 OR 7sti OR 6b3q OR 4f1g OR 4wdi OR 1jco OR 1vkt OR 6tyh OR 7u6e OR 4iyd OR 5ena OR 4f1b OR 4f1a OR 4iyf OR 4f1d OR 7yq5 OR 4f1c OR 4f1f OR 7yq3 OR 7yq4 OR 4ajx OR 4ajz OR 1ben OR 1tyl OR 1tym OR 2vk0 OR 6bfc OR 2om0 OR 2om1 OR 3uts OR 3utt OR 3tt8 OR 2omh OR 2omi OR 3u4n OR 6o17 OR 4fg3 OR 2vjz OR 4oga OR 2lgb OR 6ck2 OR 2omg OR 5uoz OR 2oly OR 1zeg OR 2olz OR 3inc OR 1zeh OR 4akj OR 4f51 OR 3w7y OR 3rov OR 3w7z OR 6b70 OR 5co9 OR 1j73 OR 5aiy OR 5co2 OR 1os4 OR 5uqa OR 1os3 OR 4f4t OR 2jv1 OR 5co6 OR 4f4v OR 7bw7 OR 5wdm OR 7bw8 OR 1rwe OR 2ceu OR 2omq OR 2r34 OR 8ez0 OR 2r35 OR 7s4y OR 2r36 OR 5cny OR 2juu OR 2juv OR 5mt9 OR 2jum OR 3exx OR 3ir0 OR 1htv OR 5mt3 OR 7bwa OR 3zqr OR 6h3m OR 8eyx OR 1lkq OR 8eyy OR 5mam OR 3zs2 OR 2mli OR 1ai0 OR 5usp OR 5uu2 OR 5uu4 OR 5uu3 OR 3e7y OR 3e7z OR 4ex0 OR 3jsd OR 6gv0 OR 4ex1 OR 2kxk OR 1sjt OR 1q4v OR 1sju OR 5uru OR 5urt OR 6jk8 OR 1xda OR 6z7y OR 1hui OR 5hyj OR 6z7w OR 4ey9 OR 4eww OR 1a7f OR 2k91 OR 4nib OR 1b9e OR 4ewx OR 4ewz OR 4ey1 OR 1jk8 OR 5uss OR 5usv OR 3zu1 OR 6p4z OR 4efx OR 6x4x OR 1xw7 OR 2kjj OR 7qgf OR 1kmf OR 4eyd OR 1fu2 OR 4exx OR 2wc0 OR 2ws6 OR 1qj0 OR 2ws7 OR 2c8q OR 2c8r OR 5udp OR 5boq OR 7sl2 OR 4f8f OR 7sl3 OR 2ws0 OR 2ws1 OR 7sl1 OR 1guj OR 7sl6 OR 7sl7 OR 2ws4 OR 7sl4 OR 1lph OR 2wby OR 1qiz OR 1qiy OR 3i40 OR 2k9r OR 6sof OR 2wru OR 7rzi OR 4fka OR 4eyp OR 2wrv OR 2wrw OR 2wrx OR 1xgl OR 5bpo OR 1aiy OR 7pg0 OR 5c0d OR 7rze OR 7pg4 OR 2kju OR 7rzf OR 7pg2 OR 4eyn OR 7pg3 OR 7mqs OR 3fq9 OR 3i3z OR 3p33 OR 1hiq OR 2mpg OR 5mwq OR 2mpi OR 7mqr OR 7rkd OR 7mqo OR 1mso OR 7qid OR 2h67 OR 6vep OR 5bqq OR 6ves OR 4y19 OR 6vet OR 1fub OR 6ver OR 6tc2 OR 1t0c OR 1ev6 OR 1ev3 OR 2aiy OR 3zi3 OR 5viz OR 2g54 OR 4y1a OR 6nwv OR 5mhd OR 2g56 OR 3bxq OR 4cy7 OR 1hit OR 1his OR 2hh4 OR 6u46 OR 3w11 OR 2w44 OR 3w12 OR 3w13 OR 6hn5 OR 2hho OR 7v3p) AND molecule_sequence:['' TO *] AND status:REL", "fl":"pdb_id,title,experimental_method,resolution", "start":"0", "sort":"", "rows":"500", "wt":"json"}}, - "response":{"numFound":665,"start":0,"docs":[ + "response":{"numFound":715,"start":0,"docs":[ { "experimental_method":["X-ray diffraction"], "pdb_id":"3hyd", @@ -20,19 +20,18 @@ "pdb_id":"1t0c", "title":"Solution Structure of Human Proinsulin C-Peptide"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"6u46", - "title":"Solution Structure of a Heat-Resistant Long-Acting Insulin Analog"}, - { "experimental_method":["X-ray diffraction"], "pdb_id":"2omq", "resolution":2.0, "title":"VEALYL peptide derived from human insulin chain B, residues 12-17"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5wdm", - "resolution":2.803, - "title":"An ultra-stable single-chain insulin analog resists thermal inactivation and exhibits biological signaling duration equivalent to the native protein"}, + "experimental_method":["Solution NMR"], + "pdb_id":"6u46", + "title":"Solution Structure of a Heat-Resistant Long-Acting Insulin Analog"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"1his", + "title":"Structure and dynamics of des-pentapeptide-insulin in solution: the molten-globule hypothesis."}, { "experimental_method":["Solution NMR"], "pdb_id":"1efe", @@ -42,13 +41,10 @@ "pdb_id":"1sju", "title":"MINI-PROINSULIN, SINGLE CHAIN INSULIN ANALOG MUTANT: DES B30, HIS(B 10)ASP, PRO(B 28)ASP AND PEPTIDE BOND BETWEEN LYS B 29 AND GLY A 1, NMR, 20 STRUCTURES"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"6k59", - "title":"Structure of Glargine insulin in 20% acetic acid-d4 (pH 1.9)"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"6k59", - "title":"Structure of Glargine insulin in 20% acetic acid-d4 (pH 1.9)"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5wdm", + "resolution":2.803, + "title":"An ultra-stable single-chain insulin analog resists thermal inactivation and exhibits biological signaling duration equivalent to the native protein"}, { "experimental_method":["Solution NMR"], "pdb_id":"1his", @@ -59,50 +55,38 @@ "title":"Receptor binding redefined by a structural switch in a mutant Human Insulin"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1hit", - "title":"Receptor binding redefined by a structural switch in a mutant Human Insulin"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"1his", - "title":"Structure and dynamics of des-pentapeptide-insulin in solution: the molten-globule hypothesis."}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2m2p", - "title":"Structure of [D-HisB24] insulin analogue at pH 8.0"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2m1d", - "title":"Biosynthetic engineered B28K-B29P human insulin monomer structure in in water/acetonitrile solutions."}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2m2n", - "title":"Structure of [L-HisB24] insulin analogue at pH 8.0"}, + "pdb_id":"6k59", + "title":"Structure of Glargine insulin in 20% acetic acid-d4 (pH 1.9)"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2m2n", - "title":"Structure of [L-HisB24] insulin analogue at pH 8.0"}, + "pdb_id":"6k59", + "title":"Structure of Glargine insulin in 20% acetic acid-d4 (pH 1.9)"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2mvd", - "title":"Solution structure of [GlnB22]-insulin mutant at pH 1.9"}, + "pdb_id":"1hiq", + "title":"PARADOXICAL STRUCTURE AND FUNCTION IN A MUTANT HUMAN INSULIN ASSOCIATED WITH DIABETES MELLITUS"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2mvd", - "title":"Solution structure of [GlnB22]-insulin mutant at pH 1.9"}, + "pdb_id":"1hit", + "title":"Receptor binding redefined by a structural switch in a mutant Human Insulin"}, { "experimental_method":["Solution NMR"], "pdb_id":"2mvc", "title":"Solution structure of human insulin at pH 1.9"}, { + "experimental_method":["Solution NMR"], + "pdb_id":"1lkq", + "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-GLY, VAL-A3-GLY, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 20 STRUCTURES"}, + { "experimental_method":["X-ray diffraction"], - "pdb_id":"6o17", - "resolution":1.58, - "title":"Recombinant Human Insulin"}, + "pdb_id":"2c8q", + "resolution":1.95, + "title":"insuline(1sec) and UV laser excited fluorescence"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6o17", - "resolution":1.58, - "title":"Recombinant Human Insulin"}, + "pdb_id":"2c8q", + "resolution":1.95, + "title":"insuline(1sec) and UV laser excited fluorescence"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"2c8r", @@ -115,39 +99,24 @@ "title":"insuline(60sec) and UV laser excited fluorescence"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1hiq", - "title":"PARADOXICAL STRUCTURE AND FUNCTION IN A MUTANT HUMAN INSULIN ASSOCIATED WITH DIABETES MELLITUS"}, + "pdb_id":"1sjt", + "title":"MINI-PROINSULIN, TWO CHAIN INSULIN ANALOG MUTANT: DES B30, HIS(B 10)ASP, PRO(B 28)ASP, NMR, 20 STRUCTURES"}, { "experimental_method":["Solution NMR"], "pdb_id":"1hiq", "title":"PARADOXICAL STRUCTURE AND FUNCTION IN A MUTANT HUMAN INSULIN ASSOCIATED WITH DIABETES MELLITUS"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1vkt", - "title":"HUMAN INSULIN TWO DISULFIDE MODEL, NMR, 10 STRUCTURES"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2c8q", - "resolution":1.95, - "title":"insuline(1sec) and UV laser excited fluorescence"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2c8q", - "resolution":1.95, - "title":"insuline(1sec) and UV laser excited fluorescence"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2m2o", - "title":"Structure of [D-HisB24] insulin analogue at pH 1.9"}, + "pdb_id":"1k3m", + "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-ALA, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, { "experimental_method":["Solution NMR"], "pdb_id":"2m1e", "title":"Biosynthetic engineered B28K-B29P human insulin monomer structure in in water solutions."}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7nhu", - "resolution":1.4, - "title":"Crystal structure of desB30 insulin produced by cell free protein synthesis"}, + "experimental_method":["Solution NMR"], + "pdb_id":"1vkt", + "title":"HUMAN INSULIN TWO DISULFIDE MODEL, NMR, 10 STRUCTURES"}, { "experimental_method":["Solution NMR"], "pdb_id":"2m2p", @@ -157,29 +126,45 @@ "pdb_id":"2m1d", "title":"Biosynthetic engineered B28K-B29P human insulin monomer structure in in water/acetonitrile solutions."}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5en9", - "resolution":1.5, - "title":"High resolution x-ray crystal structure of isotope-labeled ester-insulin"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2mvd", + "title":"Solution structure of [GlnB22]-insulin mutant at pH 1.9"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5ena", - "resolution":1.35, - "title":"Xray crystal structure of isotope-labeled human insulin"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2mvd", + "title":"Solution structure of [GlnB22]-insulin mutant at pH 1.9"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5viz", - "resolution":1.7, - "title":"X-Ray structure of Insulin Glargine"}, + "pdb_id":"6o17", + "resolution":1.58, + "title":"Recombinant Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5viz", - "resolution":1.7, - "title":"X-Ray structure of Insulin Glargine"}, + "pdb_id":"6o17", + "resolution":1.58, + "title":"Recombinant Human Insulin"}, { "experimental_method":["Solution NMR"], - "pdb_id":"5mwq", - "title":"Biosynthetic engineered A21K-B31K-B32R human insulin monomer structure in water/acetonitrile solution"}, + "pdb_id":"2m2o", + "title":"Structure of [D-HisB24] insulin analogue at pH 1.9"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2m2n", + "title":"Structure of [L-HisB24] insulin analogue at pH 8.0"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2m2n", + "title":"Structure of [L-HisB24] insulin analogue at pH 8.0"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7nhu", + "resolution":1.4, + "title":"Crystal structure of desB30 insulin produced by cell free protein synthesis"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7nhu", + "resolution":1.4, + "title":"Crystal structure of desB30 insulin produced by cell free protein synthesis"}, { "experimental_method":["Solution NMR"], "pdb_id":"2mvc", @@ -190,51 +175,65 @@ "resolution":1.9, "title":"Semi-synthetic analogue of human insulin ProB26-DTI in monomer form"}, { + "experimental_method":["X-ray diffraction"], + "pdb_id":"2ws4", + "resolution":1.9, + "title":"Semi-synthetic analogue of human insulin ProB26-DTI in monomer form"}, + { "experimental_method":["Solution NMR"], - "pdb_id":"1sjt", - "title":"MINI-PROINSULIN, TWO CHAIN INSULIN ANALOG MUTANT: DES B30, HIS(B 10)ASP, PRO(B 28)ASP, NMR, 20 STRUCTURES"}, + "pdb_id":"1lkq", + "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-GLY, VAL-A3-GLY, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 20 STRUCTURES"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"1kmf", + "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-ALLO-ILE, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, { "experimental_method":["Solution NMR"], "pdb_id":"1sjt", "title":"MINI-PROINSULIN, TWO CHAIN INSULIN ANALOG MUTANT: DES B30, HIS(B 10)ASP, PRO(B 28)ASP, NMR, 20 STRUCTURES"}, { "experimental_method":["Solution NMR"], + "pdb_id":"1k3m", + "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-ALA, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2m1e", + "title":"Biosynthetic engineered B28K-B29P human insulin monomer structure in in water solutions."}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2kjj", + "title":"Dynamics of insulin probed by 1H-NMR amide proton exchange anomalous flexibility of the receptor-binding surface"}, + { + "experimental_method":["Solution NMR"], "pdb_id":"1vkt", "title":"HUMAN INSULIN TWO DISULFIDE MODEL, NMR, 10 STRUCTURES"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1lkq", - "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-GLY, VAL-A3-GLY, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 20 STRUCTURES"}, + "pdb_id":"2jum", + "title":"ThrA3-DKP-insulin"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1lkq", - "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-GLY, VAL-A3-GLY, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 20 STRUCTURES"}, + "pdb_id":"2m2p", + "title":"Structure of [D-HisB24] insulin analogue at pH 8.0"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1k3m", - "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-ALA, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, + "pdb_id":"2m1d", + "title":"Biosynthetic engineered B28K-B29P human insulin monomer structure in in water/acetonitrile solutions."}, { - "experimental_method":["Solution NMR"], - "pdb_id":"1k3m", - "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-ALA, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"2r35", + "resolution":2.08, + "title":"Crystal structure of RB human arg-insulin"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"3ilg", "resolution":1.9, "title":"Crystal structure of humnan insulin Sr+2 complex"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"2m2o", - "title":"Structure of [D-HisB24] insulin analogue at pH 1.9"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2m1e", - "title":"Biosynthetic engineered B28K-B29P human insulin monomer structure in in water solutions."}, - { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nhu", - "resolution":1.4, - "title":"Crystal structure of desB30 insulin produced by cell free protein synthesis"}, + "pdb_id":"3ilg", + "resolution":1.9, + "title":"Crystal structure of humnan insulin Sr+2 complex"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"3u4n", @@ -242,9 +241,9 @@ "title":"A novel covalently linked insulin dimer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3u4n", - "resolution":1.98, - "title":"A novel covalently linked insulin dimer"}, + "pdb_id":"5en9", + "resolution":1.5, + "title":"High resolution x-ray crystal structure of isotope-labeled ester-insulin"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5en9", @@ -252,13 +251,28 @@ "title":"High resolution x-ray crystal structure of isotope-labeled ester-insulin"}, { "experimental_method":["X-ray diffraction"], + "pdb_id":"5viz", + "resolution":1.7, + "title":"X-Ray structure of Insulin Glargine"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5viz", + "resolution":1.7, + "title":"X-Ray structure of Insulin Glargine"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5ena", + "resolution":1.35, + "title":"Xray crystal structure of isotope-labeled human insulin"}, + { + "experimental_method":["X-ray diffraction"], "pdb_id":"5ena", "resolution":1.35, "title":"Xray crystal structure of isotope-labeled human insulin"}, { "experimental_method":["Solution NMR"], - "pdb_id":"5mwq", - "title":"Biosynthetic engineered A21K-B31K-B32R human insulin monomer structure in water/acetonitrile solution"}, + "pdb_id":"2m2o", + "title":"Structure of [D-HisB24] insulin analogue at pH 1.9"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"2wrw", @@ -270,84 +284,89 @@ "resolution":2.41, "title":"Semi-synthetic highly active analogue of human insulin D-ProB26-DTI- NH2"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"2l1z", - "title":"NMR Structure of human insulin mutant GLY-B20-D-ALA, GLY-B23-D-ALA PRO-B28-LYS, LYS-B29-PRO, 20 Structures"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"3i3z", + "resolution":1.6, + "title":"Human insulin"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"2l1z", - "title":"NMR Structure of human insulin mutant GLY-B20-D-ALA, GLY-B23-D-ALA PRO-B28-LYS, LYS-B29-PRO, 20 Structures"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"1mso", + "resolution":1.0, + "title":"T6 Human Insulin at 1.0 A Resolution"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"6x4x", - "title":"B24Y DKP insulin"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"1os4", + "resolution":2.25, + "title":"Dehydrated T6 human insulin at 295 K"}, { "experimental_method":["Solution NMR"], - "pdb_id":"6x4x", - "title":"B24Y DKP insulin"}, + "pdb_id":"1kmf", + "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-ALLO-ILE, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6jr3", - "resolution":14.5, - "title":"Crystal structure of insulin hexamer fitted into cryo EM density map where each dimer was kept as rigid body"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7rkd", + "resolution":1.25, + "title":"X-Ray structure of Insulin Analog GLULISINE"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6jr3", - "resolution":14.5, - "title":"Crystal structure of insulin hexamer fitted into cryo EM density map where each dimer was kept as rigid body"}, + "experimental_method":["Solution NMR"], + "pdb_id":"1a7f", + "title":"INSULIN MUTANT B16 GLU, B24 GLY, DES-B30, NMR, 20 STRUCTURES"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"1os4", - "resolution":2.25, - "title":"Dehydrated T6 human insulin at 295 K"}, + "experimental_method":["Solution NMR"], + "pdb_id":"1hls", + "title":"NMR STRUCTURE OF THE HUMAN INSULIN-HIS(B16)"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2kju", - "title":"NMR structure of human insulin mutant glu-b21-d-glu, his-b10 asp pro-b28-lys, lys-b29-pro, 20 structures"}, + "pdb_id":"1jco", + "title":"Solution structure of the monomeric [Thr(B27)->Pro,Pro(B28)->Thr] insulin mutant (PT insulin)"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2ws4", - "resolution":1.9, - "title":"Semi-synthetic analogue of human insulin ProB26-DTI in monomer form"}, + "experimental_method":["Solution NMR"], + "pdb_id":"1t1p", + "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-THR, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2qiu", - "resolution":2.0, - "title":"Structure of Human Arg-Insulin"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2l1z", + "title":"NMR Structure of human insulin mutant GLY-B20-D-ALA, GLY-B23-D-ALA PRO-B28-LYS, LYS-B29-PRO, 20 Structures"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2kjj", - "title":"Dynamics of insulin probed by 1H-NMR amide proton exchange anomalous flexibility of the receptor-binding surface"}, + "pdb_id":"2l1z", + "title":"NMR Structure of human insulin mutant GLY-B20-D-ALA, GLY-B23-D-ALA PRO-B28-LYS, LYS-B29-PRO, 20 Structures"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2kju", + "title":"NMR structure of human insulin mutant glu-b21-d-glu, his-b10 asp pro-b28-lys, lys-b29-pro, 20 structures"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"1ioh", + "title":"INSULIN MUTANT A8 HIS,(B1, B10, B16, B27)GLU, DES-B30, NMR, 26 STRUCTURES"}, { "experimental_method":["Solution NMR"], "pdb_id":"2kjj", "title":"Dynamics of insulin probed by 1H-NMR amide proton exchange anomalous flexibility of the receptor-binding surface"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3zi3", - "resolution":1.7, - "title":"Crystal structure of the B24His-insulin - human analogue"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2juv", + "title":"AbaA3-DKP-insulin"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3zi3", - "resolution":1.7, - "title":"Crystal structure of the B24His-insulin - human analogue"}, + "experimental_method":["Solution NMR"], + "pdb_id":"1xgl", + "title":"HUMAN INSULIN DISULFIDE ISOMER, NMR, 10 STRUCTURES"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2jv1", - "title":"NMR structure of human insulin monomer in 35% CD3CN zinc free, 50 structures"}, + "pdb_id":"1xgl", + "title":"HUMAN INSULIN DISULFIDE ISOMER, NMR, 10 STRUCTURES"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1jco", - "title":"Solution structure of the monomeric [Thr(B27)->Pro,Pro(B28)->Thr] insulin mutant (PT insulin)"}, + "pdb_id":"2jum", + "title":"ThrA3-DKP-insulin"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1ioh", - "title":"INSULIN MUTANT A8 HIS,(B1, B10, B16, B27)GLU, DES-B30, NMR, 26 STRUCTURES"}, + "pdb_id":"2juu", + "title":"allo-ThrA3 DKP-insulin"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1iog", - "title":"INSULIN MUTANT A3 GLY,(B1, B10, B16, B27)GLU, DES-B30, NMR, 19 STRUCTURES"}, + "pdb_id":"2jv1", + "title":"NMR structure of human insulin monomer in 35% CD3CN zinc free, 50 structures"}, { "experimental_method":["Solution NMR"], "pdb_id":"1hui", @@ -357,65 +376,42 @@ "pdb_id":"1hui", "title":"INSULIN MUTANT (B1, B10, B16, B27)GLU, DES-B30, NMR, 25 STRUCTURES"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"1a7f", - "title":"INSULIN MUTANT B16 GLU, B24 GLY, DES-B30, NMR, 20 STRUCTURES"}, - { "experimental_method":["X-ray diffraction"], "pdb_id":"3i40", "resolution":1.85, "title":"Human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2r35", - "resolution":2.08, - "title":"Crystal structure of RB human arg-insulin"}, - { - "experimental_method":["X-ray diffraction"], "pdb_id":"2r34", "resolution":2.25, "title":"Crystal structure of MN human arg-insulin"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2juu", - "title":"allo-ThrA3 DKP-insulin"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2jum", - "title":"ThrA3-DKP-insulin"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2jum", - "title":"ThrA3-DKP-insulin"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"1xgl", - "title":"HUMAN INSULIN DISULFIDE ISOMER, NMR, 10 STRUCTURES"}, + "pdb_id":"6x4x", + "title":"B24Y DKP insulin"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1xgl", - "title":"HUMAN INSULIN DISULFIDE ISOMER, NMR, 10 STRUCTURES"}, + "pdb_id":"6x4x", + "title":"B24Y DKP insulin"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"1t1k", - "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-ALA, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"3u4n", + "resolution":1.98, + "title":"A novel covalently linked insulin dimer"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"1t1k", - "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-ALA, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"3zi3", + "resolution":1.7, + "title":"Crystal structure of the B24His-insulin - human analogue"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"1kmf", - "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-ALLO-ILE, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"3zi3", + "resolution":1.7, + "title":"Crystal structure of the B24His-insulin - human analogue"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1kmf", - "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-ALLO-ILE, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3ilg", - "resolution":1.9, - "title":"Crystal structure of humnan insulin Sr+2 complex"}, + "pdb_id":"5mwq", + "title":"Biosynthetic engineered A21K-B31K-B32R human insulin monomer structure in water/acetonitrile solution"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5t7r", @@ -428,39 +424,92 @@ "title":"A6-A11 trans-dicarba human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jp3", - "resolution":1.95, - "title":"Des-B29,B30-insulin"}, + "pdb_id":"4iyd", + "resolution":1.66, + "title":"Insulin glargine crystal structure 1"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ak0", - "resolution":2.28, - "title":"Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin"}, + "pdb_id":"3w7y", + "resolution":0.92, + "title":"0.92A structure of 2Zn human insulin at 100K"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ak0", - "resolution":2.28, - "title":"Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin"}, + "pdb_id":"3w7z", + "resolution":1.15, + "title":"1.15A structure of human 2Zn insulin at 293K"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4unh", - "resolution":2.75, - "title":"Human insulin B26Gly mutant crystal structure"}, + "pdb_id":"2ws0", + "resolution":2.1, + "title":"Semi-synthetic analogue of human insulin NMeAlaB26-insulin at pH 7.5"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"1iog", + "title":"INSULIN MUTANT A3 GLY,(B1, B10, B16, B27)GLU, DES-B30, NMR, 19 STRUCTURES"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"4unh", "resolution":2.75, "title":"Human insulin B26Gly mutant crystal structure"}, { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7sth", + "resolution":3.5, + "title":"Full-length insulin receptor bound with unsaturated insulin WT (2 insulin bound) symmetric conformation"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7sti", + "resolution":4.9, + "title":"Full-length insulin receptor bound with unsaturated insulin WT (1 insulin bound) asymmetric conformation"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7stj", + "resolution":4.4, + "title":"Full-length insulin receptor bound with unsaturated insulin WT (2 insulins bound) asymmetric conformation (Conformation 1)"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7stk", + "resolution":4.0, + "title":"Full-length insulin receptor bound with unsaturated insulin WT (2 insulins bound) asymmetric conformation (Conformation 2)"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2hiu", + "title":"NMR STRUCTURE OF HUMAN INSULIN IN 20% ACETIC ACID, ZINC-FREE, 10 STRUCTURES"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2hiu", + "title":"NMR STRUCTURE OF HUMAN INSULIN IN 20% ACETIC ACID, ZINC-FREE, 10 STRUCTURES"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2m2m", + "title":"Structure of [L-HisB24] insulin analogue at pH 1.9"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2m2m", + "title":"Structure of [L-HisB24] insulin analogue at pH 1.9"}, + { "experimental_method":["X-ray diffraction"], - "pdb_id":"5uoz", - "resolution":1.1746387, - "title":"Insulin with proline analog FyP at position B28 in the T2 state"}, + "pdb_id":"3i3z", + "resolution":1.6, + "title":"Human insulin"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2mpg", + "title":"Solution structure of the [AibB8,LysB28,ProB29]-insulin analogue"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5uoz", - "resolution":1.1746387, - "title":"Insulin with proline analog FyP at position B28 in the T2 state"}, + "pdb_id":"2wrx", + "resolution":1.5, + "title":"Semi-synthetic analogue of human insulin NMeAlaB26-insulin at pH 3.0"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"3inc", + "resolution":1.85, + "title":"Crystal structure of human insulin with Ni+2 complex"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2rn5", + "title":"Humal Insulin Mutant B31Lys-B32Arg"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"4ung", @@ -468,14 +517,9 @@ "title":"Human insulin B26Asn mutant crystal structure"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4iyd", - "resolution":1.66, - "title":"Insulin glargine crystal structure 1"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4iyd", - "resolution":1.66, - "title":"Insulin glargine crystal structure 1"}, + "pdb_id":"1mso", + "resolution":1.0, + "title":"T6 Human Insulin at 1.0 A Resolution"}, { "experimental_method":["Solution NMR"], "pdb_id":"2h67", @@ -485,107 +529,68 @@ "pdb_id":"2h67", "title":"NMR structure of human insulin mutant HIS-B5-ALA, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6s34", - "resolution":1.35, - "title":"Zinc free, dimeric human insulin determined to 1.35 Angstrom resolution"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6s34", - "resolution":1.35, - "title":"Zinc free, dimeric human insulin determined to 1.35 Angstrom resolution"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6ves", - "resolution":1.85, - "title":"Human insulin analog: [GluB10,HisA8,ArgA9]-DOI"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6ves", - "resolution":1.85, - "title":"Human insulin analog: [GluB10,HisA8,ArgA9]-DOI"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2hh4", + "title":"NMR structure of human insulin mutant GLY-B8-D-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2mpg", - "title":"Solution structure of the [AibB8,LysB28,ProB29]-insulin analogue"}, + "pdb_id":"3aiy", + "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, REFINED AVERAGE STRUCTURE"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"1os4", "resolution":2.25, "title":"Dehydrated T6 human insulin at 295 K"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"2kju", - "title":"NMR structure of human insulin mutant glu-b21-d-glu, his-b10 asp pro-b28-lys, lys-b29-pro, 20 structures"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"1os3", + "resolution":1.95, + "title":"Dehydrated T6 human insulin at 100 K"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2qiu", - "resolution":2.0, - "title":"Structure of Human Arg-Insulin"}, + "pdb_id":"7rkd", + "resolution":1.25, + "title":"X-Ray structure of Insulin Analog GLULISINE"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2aiy", - "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 20 STRUCTURES"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2ws0", - "resolution":2.1, - "title":"Semi-synthetic analogue of human insulin NMeAlaB26-insulin at pH 7.5"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2juv", - "title":"AbaA3-DKP-insulin"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2juv", - "title":"AbaA3-DKP-insulin"}, + "pdb_id":"1a7f", + "title":"INSULIN MUTANT B16 GLU, B24 GLY, DES-B30, NMR, 20 STRUCTURES"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2hho", - "title":"NMR structure of human insulin mutant GLY-B8-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3w7y", - "resolution":0.92, - "title":"0.92A structure of 2Zn human insulin at 100K"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3w7y", - "resolution":0.92, - "title":"0.92A structure of 2Zn human insulin at 100K"}, + "pdb_id":"5aiy", + "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 'RED' SUBSTATE, AVERAGE STRUCTURE"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2jv1", - "title":"NMR structure of human insulin monomer in 35% CD3CN zinc free, 50 structures"}, + "pdb_id":"1hls", + "title":"NMR STRUCTURE OF THE HUMAN INSULIN-HIS(B16)"}, { "experimental_method":["Solution NMR"], "pdb_id":"1jco", "title":"Solution structure of the monomeric [Thr(B27)->Pro,Pro(B28)->Thr] insulin mutant (PT insulin)"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1ioh", - "title":"INSULIN MUTANT A8 HIS,(B1, B10, B16, B27)GLU, DES-B30, NMR, 26 STRUCTURES"}, + "pdb_id":"1t1p", + "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-THR, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1hls", - "title":"NMR STRUCTURE OF THE HUMAN INSULIN-HIS(B16)"}, + "pdb_id":"2kju", + "title":"NMR structure of human insulin mutant glu-b21-d-glu, his-b10 asp pro-b28-lys, lys-b29-pro, 20 structures"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1hls", - "title":"NMR STRUCTURE OF THE HUMAN INSULIN-HIS(B16)"}, + "pdb_id":"2lgb", + "title":"Modified A22Gly-B31Arg Human Insulin"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1iog", - "title":"INSULIN MUTANT A3 GLY,(B1, B10, B16, B27)GLU, DES-B30, NMR, 19 STRUCTURES"}, + "pdb_id":"2lgb", + "title":"Modified A22Gly-B31Arg Human Insulin"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1a7f", - "title":"INSULIN MUTANT B16 GLU, B24 GLY, DES-B30, NMR, 20 STRUCTURES"}, + "pdb_id":"1ioh", + "title":"INSULIN MUTANT A8 HIS,(B1, B10, B16, B27)GLU, DES-B30, NMR, 26 STRUCTURES"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"1mso", - "resolution":1.0, - "title":"T6 Human Insulin at 1.0 A Resolution"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2juv", + "title":"AbaA3-DKP-insulin"}, { "experimental_method":["Solution NMR"], "pdb_id":"1t1q", @@ -596,35 +601,16 @@ "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-ABA, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1t1p", - "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-THR, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"1t1p", - "title":"NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-THR, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3i40", - "resolution":1.85, - "title":"Human insulin"}, + "pdb_id":"1sf1", + "title":"NMR STRUCTURE OF HUMAN INSULIN under Amyloidogenic Condition, 15 STRUCTURES"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2rn5", - "title":"Humal Insulin Mutant B31Lys-B32Arg"}, + "pdb_id":"1sf1", + "title":"NMR STRUCTURE OF HUMAN INSULIN under Amyloidogenic Condition, 15 STRUCTURES"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2rn5", - "title":"Humal Insulin Mutant B31Lys-B32Arg"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3i3z", - "resolution":1.6, - "title":"Human insulin"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3i3z", - "resolution":1.6, - "title":"Human insulin"}, + "pdb_id":"2juu", + "title":"allo-ThrA3 DKP-insulin"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"2r35", @@ -632,60 +618,71 @@ "title":"Crystal structure of RB human arg-insulin"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2juu", - "title":"allo-ThrA3 DKP-insulin"}, + "pdb_id":"2hho", + "title":"NMR structure of human insulin mutant GLY-B8-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1sf1", - "title":"NMR STRUCTURE OF HUMAN INSULIN under Amyloidogenic Condition, 15 STRUCTURES"}, + "pdb_id":"2aiy", + "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 20 STRUCTURES"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"1sf1", - "title":"NMR STRUCTURE OF HUMAN INSULIN under Amyloidogenic Condition, 15 STRUCTURES"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"3i40", + "resolution":1.85, + "title":"Human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3w7z", - "resolution":1.15, - "title":"1.15A structure of human 2Zn insulin at 293K"}, + "pdb_id":"2r34", + "resolution":2.25, + "title":"Crystal structure of MN human arg-insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3w7z", - "resolution":1.15, - "title":"1.15A structure of human 2Zn insulin at 293K"}, + "pdb_id":"6s34", + "resolution":1.35, + "title":"Zinc free, dimeric human insulin determined to 1.35 Angstrom resolution"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"2lgb", - "title":"Modified A22Gly-B31Arg Human Insulin"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"6s34", + "resolution":1.35, + "title":"Zinc free, dimeric human insulin determined to 1.35 Angstrom resolution"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"2lgb", - "title":"Modified A22Gly-B31Arg Human Insulin"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5uoz", + "resolution":1.1746387, + "title":"Insulin with proline analog FyP at position B28 in the T2 state"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"2hiu", - "title":"NMR STRUCTURE OF HUMAN INSULIN IN 20% ACETIC ACID, ZINC-FREE, 10 STRUCTURES"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5uoz", + "resolution":1.1746387, + "title":"Insulin with proline analog FyP at position B28 in the T2 state"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"2hiu", - "title":"NMR STRUCTURE OF HUMAN INSULIN IN 20% ACETIC ACID, ZINC-FREE, 10 STRUCTURES"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"6ves", + "resolution":1.85, + "title":"Human insulin analog: [GluB10,HisA8,ArgA9]-DOI"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"2m2m", - "title":"Structure of [L-HisB24] insulin analogue at pH 1.9"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"6ves", + "resolution":1.85, + "title":"Human insulin analog: [GluB10,HisA8,ArgA9]-DOI"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"8eyx", + "resolution":4.5, + "title":"Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Asymmetric conformation 1"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2m2m", - "title":"Structure of [L-HisB24] insulin analogue at pH 1.9"}, + "pdb_id":"5mwq", + "title":"Biosynthetic engineered A21K-B31K-B32R human insulin monomer structure in water/acetonitrile solution"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3tt8", - "resolution":1.12, - "title":"Crystal Structure Analysis of Cu Human Insulin Derivative"}, + "pdb_id":"4iyd", + "resolution":1.66, + "title":"Insulin glargine crystal structure 1"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3tt8", - "resolution":1.12, - "title":"Crystal Structure Analysis of Cu Human Insulin Derivative"}, + "pdb_id":"4eww", + "resolution":2.3, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"4iyf", @@ -693,76 +690,86 @@ "title":"Insulin glargine crystal structure 2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4iyf", - "resolution":1.8, - "title":"Insulin glargine crystal structure 2"}, + "pdb_id":"3tt8", + "resolution":1.12, + "title":"Crystal Structure Analysis of Cu Human Insulin Derivative"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2kqq", - "title":"NMR structure of human insulin mutant gly-b8-d-ala, his-b10-asp, pro-b28-lys, lys-b29-pro, 20 structures"}, + "pdb_id":"4aiy", + "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 'GREEN' SUBSTATE, AVERAGE STRUCTURE"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"2kxk", - "title":"Human Insulin Mutant A22Gly-B31Lys-B32Arg"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"3w80", + "resolution":1.4, + "title":"Crystal structure of dodecamer human insulin with double C-axis length of the hexamer 2 Zn insulin cell"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"2kxk", - "title":"Human Insulin Mutant A22Gly-B31Lys-B32Arg"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"3w7y", + "resolution":0.92, + "title":"0.92A structure of 2Zn human insulin at 100K"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4cxn", - "resolution":1.7, - "title":"Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form I"}, + "pdb_id":"3w7z", + "resolution":1.15, + "title":"1.15A structure of human 2Zn insulin at 293K"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4cxn", - "resolution":1.7, - "title":"Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form I"}, + "pdb_id":"2ws0", + "resolution":2.1, + "title":"Semi-synthetic analogue of human insulin NMeAlaB26-insulin at pH 7.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5hqi", - "resolution":0.97, - "title":"Insulin with proline analog HzP at position B28 in the T2 state"}, + "pdb_id":"4ewx", + "resolution":2.201, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5hqi", - "resolution":0.97, - "title":"Insulin with proline analog HzP at position B28 in the T2 state"}, + "pdb_id":"4ak0", + "resolution":2.28, + "title":"Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"5mhd", - "title":"Biosynthetic engineered A22S-B3K-B31R human insulin monomer structure in water/acetonitrile solutions."}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"4ak0", + "resolution":2.28, + "title":"Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin"}, { "experimental_method":["Solution NMR"], - "pdb_id":"5mhd", - "title":"Biosynthetic engineered A22S-B3K-B31R human insulin monomer structure in water/acetonitrile solutions."}, + "pdb_id":"1iog", + "title":"INSULIN MUTANT A3 GLY,(B1, B10, B16, B27)GLU, DES-B30, NMR, 19 STRUCTURES"}, { "experimental_method":["Solution NMR"], - "pdb_id":"4aiy", - "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 'GREEN' SUBSTATE, AVERAGE STRUCTURE"}, + "pdb_id":"2jv1", + "title":"NMR structure of human insulin monomer in 35% CD3CN zinc free, 50 structures"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"4aiy", - "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 'GREEN' SUBSTATE, AVERAGE STRUCTURE"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"4unh", + "resolution":2.75, + "title":"Human insulin B26Gly mutant crystal structure"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"4une", "resolution":1.59, "title":"Human insulin B26Phe mutant crystal structure"}, { + "experimental_method":["Electron Microscopy"], + "pdb_id":"8eyy", + "resolution":4.9, + "title":"Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S, denoted as IR-3CS) Asymmetric conformation 2"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"8ez0", + "resolution":3.7, + "title":"Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Symmetric conformation"}, + { "experimental_method":["X-ray diffraction"], - "pdb_id":"4une", - "resolution":1.59, - "title":"Human insulin B26Phe mutant crystal structure"}, + "pdb_id":"7jp3", + "resolution":1.95, + "title":"Des-B29,B30-insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ung", - "resolution":1.81, - "title":"Human insulin B26Asn mutant crystal structure"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2n2w", - "title":"Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 8.0"}, + "pdb_id":"2ws1", + "resolution":1.6, + "title":"Semi-synthetic analogue of human insulin NMeTyrB26-insulin in monomer form"}, { "experimental_method":["Solution NMR"], "pdb_id":"2mpi", @@ -777,45 +784,17 @@ "title":"Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 1.9"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2mpg", - "title":"Solution structure of the [AibB8,LysB28,ProB29]-insulin analogue"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2l1y", - "title":"NMR Structure of human insulin mutant GLY-B20-D-ALA, GLY-B23-D-ALA PRO-B28-LYS, LYS-B29-PRO, 20 Structures"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"5aiy", - "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 'RED' SUBSTATE, AVERAGE STRUCTURE"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"5aiy", - "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 'RED' SUBSTATE, AVERAGE STRUCTURE"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2mli", - "title":"NMR structure of B25-(alpha, beta)-dehydro-phenylalanine insulin"}, - { - "experimental_method":["Solution NMR"], "pdb_id":"2n2x", "title":"Solution structure of [GlyB24,B27-B29 triazole cross-linked]-insulin analogue at pH 1.9"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"3aiy", - "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, REFINED AVERAGE STRUCTURE"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"3aiy", - "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, REFINED AVERAGE STRUCTURE"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"2wru", + "resolution":1.57, + "title":"Semi-synthetic highly active analogue of human insulin NMeAlaB26-DTI- NH2"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2aiy", - "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 20 STRUCTURES"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2wrx", - "resolution":1.5, - "title":"Semi-synthetic analogue of human insulin NMeAlaB26-insulin at pH 3.0"}, + "pdb_id":"2mpg", + "title":"Solution structure of the [AibB8,LysB28,ProB29]-insulin analogue"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"2wrx", @@ -823,161 +802,109 @@ "title":"Semi-synthetic analogue of human insulin NMeAlaB26-insulin at pH 3.0"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2ws0", - "resolution":2.1, - "title":"Semi-synthetic analogue of human insulin NMeAlaB26-insulin at pH 7.5"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2g56", - "resolution":2.2, - "title":"crystal structure of human insulin-degrading enzyme in complex with insulin B chain"}, + "pdb_id":"3inc", + "resolution":1.85, + "title":"Crystal structure of human insulin with Ni+2 complex"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4eww", - "resolution":2.3, - "title":"Human Insulin"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2rn5", + "title":"Humal Insulin Mutant B31Lys-B32Arg"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3w80", - "resolution":1.4, - "title":"Crystal structure of dodecamer human insulin with double C-axis length of the hexamer 2 Zn insulin cell"}, + "pdb_id":"4ung", + "resolution":1.81, + "title":"Human insulin B26Asn mutant crystal structure"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3w80", - "resolution":1.4, - "title":"Crystal structure of dodecamer human insulin with double C-axis length of the hexamer 2 Zn insulin cell"}, + "experimental_method":["Solution NMR"], + "pdb_id":"1mhi", + "title":"THREE-DIMENSIONAL SOLUTION STRUCTURE OF AN INSULIN DIMER. A STUDY OF THE B9(ASP) MUTANT OF HUMAN INSULIN USING NUCLEAR MAGNETIC RESONANCE DISTANCE GEOMETRY AND RESTRAINED MOLECULAR DYNAMICS"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2hh4", - "title":"NMR structure of human insulin mutant GLY-B8-D-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures"}, + "pdb_id":"1mhi", + "title":"THREE-DIMENSIONAL SOLUTION STRUCTURE OF AN INSULIN DIMER. A STUDY OF THE B9(ASP) MUTANT OF HUMAN INSULIN USING NUCLEAR MAGNETIC RESONANCE DISTANCE GEOMETRY AND RESTRAINED MOLECULAR DYNAMICS"}, { "experimental_method":["Solution NMR"], "pdb_id":"2hh4", "title":"NMR structure of human insulin mutant GLY-B8-D-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2hho", - "title":"NMR structure of human insulin mutant GLY-B8-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4ewx", - "resolution":2.201, - "title":"Human Insulin"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2k91", - "title":"Enhancing the activity of insulin by stereospecific unfolding"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2k91", - "title":"Enhancing the activity of insulin by stereospecific unfolding"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"1mso", - "resolution":1.0, - "title":"T6 Human Insulin at 1.0 A Resolution"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"1os3", - "resolution":1.95, - "title":"Dehydrated T6 human insulin at 100 K"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"1mhj", - "title":"SOLUTION STRUCTURE OF THE SUPERACTIVE MONOMERIC DES-[PHE(B25)] HUMAN INSULIN MUTANT. ELUCIDATION OF THE STRUCTURAL BASIS FOR THE MONOMERIZATION OF THE DES-[PHE(B25)] INSULIN AND THE DIMERIZATION OF NATIVE INSULIN"}, + "pdb_id":"3aiy", + "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, REFINED AVERAGE STRUCTURE"}, { "experimental_method":["Solution NMR"], "pdb_id":"1mhj", "title":"SOLUTION STRUCTURE OF THE SUPERACTIVE MONOMERIC DES-[PHE(B25)] HUMAN INSULIN MUTANT. ELUCIDATION OF THE STRUCTURAL BASIS FOR THE MONOMERIZATION OF THE DES-[PHE(B25)] INSULIN AND THE DIMERIZATION OF NATIVE INSULIN"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"1mhi", - "title":"THREE-DIMENSIONAL SOLUTION STRUCTURE OF AN INSULIN DIMER. A STUDY OF THE B9(ASP) MUTANT OF HUMAN INSULIN USING NUCLEAR MAGNETIC RESONANCE DISTANCE GEOMETRY AND RESTRAINED MOLECULAR DYNAMICS"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"1mhi", - "title":"THREE-DIMENSIONAL SOLUTION STRUCTURE OF AN INSULIN DIMER. A STUDY OF THE B9(ASP) MUTANT OF HUMAN INSULIN USING NUCLEAR MAGNETIC RESONANCE DISTANCE GEOMETRY AND RESTRAINED MOLECULAR DYNAMICS"}, - { "experimental_method":["X-ray diffraction"], "pdb_id":"1os3", "resolution":1.95, "title":"Dehydrated T6 human insulin at 100 K"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2r34", - "resolution":2.25, - "title":"Crystal structure of MN human arg-insulin"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3inc", - "resolution":1.85, - "title":"Crystal structure of human insulin with Ni+2 complex"}, + "pdb_id":"2g56", + "resolution":2.2, + "title":"crystal structure of human insulin-degrading enzyme in complex with insulin B chain"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3inc", - "resolution":1.85, - "title":"Crystal structure of human insulin with Ni+2 complex"}, + "experimental_method":["Solution NMR"], + "pdb_id":"1aiy", + "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 10 STRUCTURES"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3q6e", - "resolution":2.05, - "title":"Human insulin in complex with cucurbit[7]uril"}, + "experimental_method":["Solution NMR"], + "pdb_id":"1ai0", + "title":"R6 HUMAN INSULIN HEXAMER (NON-SYMMETRIC), NMR, 10 STRUCTURES"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3q6e", - "resolution":2.05, - "title":"Human insulin in complex with cucurbit[7]uril"}, + "experimental_method":["Solution NMR"], + "pdb_id":"5aiy", + "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 'RED' SUBSTATE, AVERAGE STRUCTURE"}, { "experimental_method":["Solution NMR"], "pdb_id":"2kqq", "title":"NMR structure of human insulin mutant gly-b8-d-ala, his-b10-asp, pro-b28-lys, lys-b29-pro, 20 structures"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5urt", - "resolution":1.18, - "title":"Insulin with proline analog DhP at position B28 in the T2 state"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5usv", - "resolution":1.3, - "title":"Insulin with proline analog AzeP at position B28 in the T2 state"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2l1y", + "title":"NMR Structure of human insulin mutant GLY-B20-D-ALA, GLY-B23-D-ALA PRO-B28-LYS, LYS-B29-PRO, 20 Structures"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5usv", + "pdb_id":"3bxq", "resolution":1.3, - "title":"Insulin with proline analog AzeP at position B28 in the T2 state"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5uu2", - "resolution":1.223, - "title":"Insulin with proline analog ThioP at position B28 in the T2 state"}, + "title":"The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition"}, { "experimental_method":["Solution NMR"], "pdb_id":"2n2w", "title":"Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 8.0"}, { "experimental_method":["Solution NMR"], - "pdb_id":"2n2v", - "title":"Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 1.9"}, + "pdb_id":"2hho", + "title":"NMR structure of human insulin mutant GLY-B8-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2aiy", + "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 20 STRUCTURES"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2mli", + "title":"NMR structure of B25-(alpha, beta)-dehydro-phenylalanine insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5usp", - "resolution":1.174, - "title":"Insulin with proline analog Pip at position B28 in the T2 state"}, + "pdb_id":"3q6e", + "resolution":2.05, + "title":"Human insulin in complex with cucurbit[7]uril"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5usp", - "resolution":1.174, - "title":"Insulin with proline analog Pip at position B28 in the T2 state"}, + "pdb_id":"4ex0", + "resolution":1.86, + "title":"Human Insulin"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"2l1y", - "title":"NMR Structure of human insulin mutant GLY-B20-D-ALA, GLY-B23-D-ALA PRO-B28-LYS, LYS-B29-PRO, 20 Structures"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"4ex1", + "resolution":1.657, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5bpo", - "resolution":1.9, - "title":"Human insulin with intra-chain chemical crosslink between modified B27 and B29"}, + "pdb_id":"4f1a", + "resolution":1.8, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6ver", @@ -989,118 +916,118 @@ "resolution":1.047, "title":"Human insulin analog: [GluB10,TyrB20]-DOI"}, { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7bwa", + "resolution":4.9, + "title":"Cryo-EM Structure for the Ectodomain of the Full-length Human Insulin Receptor in Complex with 2 Insulin"}, + { "experimental_method":["Solution NMR"], - "pdb_id":"2n2x", - "title":"Solution structure of [GlyB24,B27-B29 triazole cross-linked]-insulin analogue at pH 1.9"}, + "pdb_id":"5mhd", + "title":"Biosynthetic engineered A22S-B3K-B31R human insulin monomer structure in water/acetonitrile solutions."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4rxw", - "resolution":1.73, - "title":"Crystal Structure of the cobalt human insulin derivative"}, + "pdb_id":"5hqi", + "resolution":0.97, + "title":"Insulin with proline analog HzP at position B28 in the T2 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4rxw", - "resolution":1.73, - "title":"Crystal Structure of the cobalt human insulin derivative"}, + "pdb_id":"5hqi", + "resolution":0.97, + "title":"Insulin with proline analog HzP at position B28 in the T2 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5bts", - "resolution":1.77, - "title":"Structural and biophysical characterization of a covalent insulin dimer formed during storage of neutral formulation of human insulin"}, + "pdb_id":"4ey9", + "resolution":1.471, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5bts", - "resolution":1.77, - "title":"Structural and biophysical characterization of a covalent insulin dimer formed during storage of neutral formulation of human insulin"}, + "pdb_id":"4eww", + "resolution":2.3, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2ws1", - "resolution":1.6, - "title":"Semi-synthetic analogue of human insulin NMeTyrB26-insulin in monomer form"}, + "pdb_id":"4ey1", + "resolution":1.471, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2ws1", - "resolution":1.6, - "title":"Semi-synthetic analogue of human insulin NMeTyrB26-insulin in monomer form"}, + "pdb_id":"4iyf", + "resolution":1.8, + "title":"Insulin glargine crystal structure 2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2wru", - "resolution":1.57, - "title":"Semi-synthetic highly active analogue of human insulin NMeAlaB26-DTI- NH2"}, + "pdb_id":"4f0o", + "resolution":1.672, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2wru", - "resolution":1.57, - "title":"Semi-synthetic highly active analogue of human insulin NMeAlaB26-DTI- NH2"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4f1f", - "resolution":1.684, + "pdb_id":"4exx", + "resolution":1.55, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f1g", - "resolution":1.637, - "title":"Human insulin"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4f0o", - "resolution":1.672, + "pdb_id":"4f0n", + "resolution":1.679, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f1c", - "resolution":1.7, + "pdb_id":"4eyd", + "resolution":1.471, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f1b", + "pdb_id":"4eyp", "resolution":1.591, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ex0", - "resolution":1.86, - "title":"Human Insulin"}, + "pdb_id":"3tt8", + "resolution":1.12, + "title":"Crystal Structure Analysis of Cu Human Insulin Derivative"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ex0", - "resolution":1.86, + "pdb_id":"4ewx", + "resolution":2.201, "title":"Human Insulin"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4eww", - "resolution":2.3, - "title":"Human Insulin"}, + "experimental_method":["Solution NMR"], + "pdb_id":"4aiy", + "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 'GREEN' SUBSTATE, AVERAGE STRUCTURE"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f4v", - "resolution":1.637, - "title":"Human Insulin"}, + "pdb_id":"3w80", + "resolution":1.4, + "title":"Crystal structure of dodecamer human insulin with double C-axis length of the hexamer 2 Zn insulin cell"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4eyd", - "resolution":1.471, - "title":"Human Insulin"}, + "experimental_method":["Solution NMR"], + "pdb_id":"5mhd", + "title":"Biosynthetic engineered A22S-B3K-B31R human insulin monomer structure in water/acetonitrile solutions."}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4eyd", - "resolution":1.471, - "title":"Human Insulin"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2k91", + "title":"Enhancing the activity of insulin by stereospecific unfolding"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4eyp", - "resolution":1.591, - "title":"Human Insulin"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2kxk", + "title":"Human Insulin Mutant A22Gly-B31Lys-B32Arg"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2kxk", + "title":"Human Insulin Mutant A22Gly-B31Lys-B32Arg"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7bw7", + "resolution":4.1, + "title":"Cryo-EM Structure for the Ectodomain of the Full-length Human Insulin Receptor in Complex with 1 Insulin."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4eyn", - "resolution":1.532, - "title":"Human Insulin"}, + "pdb_id":"4une", + "resolution":1.59, + "title":"Human insulin B26Phe mutant crystal structure"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f1d", - "resolution":1.637, + "pdb_id":"4ewz", + "resolution":1.791, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], @@ -1109,128 +1036,228 @@ "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ex1", - "resolution":1.657, - "title":"Human Insulin"}, + "pdb_id":"7qgf", + "resolution":1.203, + "title":"Cubic Insulin SAD phasing at 14.2 keV"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4ey1", - "resolution":1.471, - "title":"Human Insulin"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7rzf", + "resolution":3.4, + "title":"Insulin Degrading Enzyme O/pC"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4f51", - "resolution":1.637, - "title":"Human Insulin"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7rzf", + "resolution":3.4, + "title":"Insulin Degrading Enzyme O/pC"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7rze", + "resolution":3.3, + "title":"Insulin Degrading Enzyme pO/pC"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7rze", + "resolution":3.3, + "title":"Insulin Degrading Enzyme pO/pC"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7rzi", + "resolution":3.0, + "title":"Insulin Degrading Enzyme pC/pC"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7rzi", + "resolution":3.0, + "title":"Insulin Degrading Enzyme pC/pC"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f4t", - "resolution":1.637, - "title":"Human Insulin"}, + "pdb_id":"5c0d", + "resolution":1.68, + "title":"HLA-A02 carrying AQWGPDPAAA"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7sl1", + "resolution":3.4, + "title":"Full-length insulin receptor bound with site 1 binding deficient mutant insulin (A-V3E)"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7sl1", + "resolution":3.4, + "title":"Full-length insulin receptor bound with site 1 binding deficient mutant insulin (A-V3E)"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7sl2", + "resolution":3.6, + "title":"Full-length insulin receptor bound with site 2 binding deficient mutant insulin (A-L13R) -- asymmetric conformation"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7sl2", + "resolution":3.6, + "title":"Full-length insulin receptor bound with site 2 binding deficient mutant insulin (A-L13R) -- asymmetric conformation"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7sl6", + "resolution":3.7, + "title":"Full-length insulin receptor bound with site 2 binding deficient mutant insulin (B-L17R) -- symmetric conformation"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7sl3", + "resolution":3.4, + "title":"Full-length insulin receptor bound with site 2 binding deficient mutant insulin (A-L13R) -- symmetric conformation"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7sl3", + "resolution":3.4, + "title":"Full-length insulin receptor bound with site 2 binding deficient mutant insulin (A-L13R) -- symmetric conformation"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7sl4", + "resolution":5.0, + "title":"Full-length insulin receptor bound with site 2 binding deficient mutant insulin (B-L17R) -- asymmetric conformation"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ewz", - "resolution":1.791, - "title":"Human Insulin"}, + "pdb_id":"2ws1", + "resolution":1.6, + "title":"Semi-synthetic analogue of human insulin NMeTyrB26-insulin in monomer form"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ewx", - "resolution":2.201, - "title":"Human Insulin"}, + "pdb_id":"2vjz", + "resolution":1.8, + "title":"Crystal structure form ultalente insulin microcrystals"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2n2v", + "title":"Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 1.9"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2n2x", + "title":"Solution structure of [GlyB24,B27-B29 triazole cross-linked]-insulin analogue at pH 1.9"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ey9", - "resolution":1.471, - "title":"Human Insulin"}, + "pdb_id":"2wrv", + "resolution":2.15, + "title":"Semi-synthetic highly active analogue of human insulin NMeHisB26-DTI- NH2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ey9", - "resolution":1.471, - "title":"Human Insulin"}, + "pdb_id":"2wrv", + "resolution":2.15, + "title":"Semi-synthetic highly active analogue of human insulin NMeHisB26-DTI- NH2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4exx", - "resolution":1.55, - "title":"Human Insulin"}, + "pdb_id":"2wru", + "resolution":1.57, + "title":"Semi-synthetic highly active analogue of human insulin NMeAlaB26-DTI- NH2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4exx", - "resolution":1.55, - "title":"Human Insulin"}, + "pdb_id":"3exx", + "resolution":1.35, + "title":"Structure of the T6 human insulin derivative with nickel at 1.35 A resolution"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ewz", - "resolution":1.791, - "title":"Human Insulin"}, + "pdb_id":"3ir0", + "resolution":2.2, + "title":"Crystal Structure of Human Insulin complexed with Cu+2 metal ion"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1aiy", - "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 10 STRUCTURES"}, + "pdb_id":"1mhj", + "title":"SOLUTION STRUCTURE OF THE SUPERACTIVE MONOMERIC DES-[PHE(B25)] HUMAN INSULIN MUTANT. ELUCIDATION OF THE STRUCTURAL BASIS FOR THE MONOMERIZATION OF THE DES-[PHE(B25)] INSULIN AND THE DIMERIZATION OF NATIVE INSULIN"}, { "experimental_method":["Solution NMR"], "pdb_id":"1aiy", "title":"R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 10 STRUCTURES"}, { + "experimental_method":["Solution NMR"], + "pdb_id":"1ai0", + "title":"R6 HUMAN INSULIN HEXAMER (NON-SYMMETRIC), NMR, 10 STRUCTURES"}, + { "experimental_method":["X-ray diffraction"], - "pdb_id":"3bxq", - "resolution":1.3, - "title":"The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition"}, + "pdb_id":"1b9e", + "resolution":2.5, + "title":"HUMAN INSULIN MUTANT SERB9GLU"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"1htv", + "resolution":1.9, + "title":"CRYSTAL STRUCTURE OF DESTRIPEPTIDE (B28-B30) INSULIN"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"1jca", "resolution":2.5, "title":"Non-standard Design of Unstable Insulin Analogues with Enhanced Activity"}, { + "experimental_method":["X-ray powder diffraction"], + "pdb_id":"1fub", + "title":"FIRST PROTEIN STRUCTURE DETERMINED FROM X-RAY POWDER DIFFRACTION DATA"}, + { "experimental_method":["Solution NMR"], - "pdb_id":"1ai0", - "title":"R6 HUMAN INSULIN HEXAMER (NON-SYMMETRIC), NMR, 10 STRUCTURES"}, + "pdb_id":"2kqq", + "title":"NMR structure of human insulin mutant gly-b8-d-ala, his-b10-asp, pro-b28-lys, lys-b29-pro, 20 structures"}, { "experimental_method":["Solution NMR"], - "pdb_id":"1ai0", - "title":"R6 HUMAN INSULIN HEXAMER (NON-SYMMETRIC), NMR, 10 STRUCTURES"}, + "pdb_id":"2l1y", + "title":"NMR Structure of human insulin mutant GLY-B20-D-ALA, GLY-B23-D-ALA PRO-B28-LYS, LYS-B29-PRO, 20 Structures"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"1htv", "resolution":1.9, "title":"CRYSTAL STRUCTURE OF DESTRIPEPTIDE (B28-B30) INSULIN"}, { + "experimental_method":["Solution NMR"], + "pdb_id":"2n2w", + "title":"Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 8.0"}, + { "experimental_method":["X-ray diffraction"], - "pdb_id":"1htv", - "resolution":1.9, - "title":"CRYSTAL STRUCTURE OF DESTRIPEPTIDE (B28-B30) INSULIN"}, + "pdb_id":"2r36", + "resolution":2.0, + "title":"Crystal structure of ni human ARG-insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f8f", - "resolution":1.676, - "title":"Human Insulin"}, + "pdb_id":"2ceu", + "resolution":1.8, + "title":"Despentapeptide insulin in acetic acid (pH 2)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f0n", - "resolution":1.679, - "title":"Human Insulin"}, + "pdb_id":"2ceu", + "resolution":1.8, + "title":"Despentapeptide insulin in acetic acid (pH 2)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f0n", - "resolution":1.679, - "title":"Human Insulin"}, + "pdb_id":"3q6e", + "resolution":2.05, + "title":"Human insulin in complex with cucurbit[7]uril"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4fka", - "resolution":1.08, - "title":"High resolution structure of the manganese derivative of insulin"}, + "pdb_id":"4ex0", + "resolution":1.86, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f1a", - "resolution":1.8, + "pdb_id":"4ex1", + "resolution":1.657, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f1a", - "resolution":1.8, + "pdb_id":"4f1c", + "resolution":1.7, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6h3m", + "pdb_id":"4f1c", + "resolution":1.7, + "title":"Human Insulin"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"4f4t", + "resolution":1.637, + "title":"Human Insulin"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"4f4t", + "resolution":1.637, + "title":"Human Insulin"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6h3m", "resolution":1.821, "title":"The crystal structure of a human seleno-insulin analog"}, { @@ -1240,97 +1267,93 @@ "title":"The crystal structure of a human seleno-insulin analog"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5c0d", - "resolution":1.68, - "title":"HLA-A02 carrying AQWGPDPAAA"}, + "pdb_id":"5usp", + "resolution":1.174, + "title":"Insulin with proline analog Pip at position B28 in the T2 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4iuz", - "resolution":1.6, - "title":"High resolution crystal structure of racemic ester insulin"}, + "pdb_id":"4rxw", + "resolution":1.73, + "title":"Crystal Structure of the cobalt human insulin derivative"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5urt", - "resolution":1.18, - "title":"Insulin with proline analog DhP at position B28 in the T2 state"}, + "pdb_id":"4rxw", + "resolution":1.73, + "title":"Crystal Structure of the cobalt human insulin derivative"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5cny", - "resolution":1.7, - "title":"Crystal Structure of human zinc insulin at pH 5.5"}, + "pdb_id":"5bpo", + "resolution":1.9, + "title":"Human insulin with intra-chain chemical crosslink between modified B27 and B29"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5uu2", - "resolution":1.223, - "title":"Insulin with proline analog ThioP at position B28 in the T2 state"}, + "pdb_id":"5bts", + "resolution":1.77, + "title":"Structural and biophysical characterization of a covalent insulin dimer formed during storage of neutral formulation of human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3exx", - "resolution":1.35, - "title":"Structure of the T6 human insulin derivative with nickel at 1.35 A resolution"}, + "pdb_id":"5bts", + "resolution":1.77, + "title":"Structural and biophysical characterization of a covalent insulin dimer formed during storage of neutral formulation of human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2vjz", - "resolution":1.8, - "title":"Crystal structure form ultalente insulin microcrystals"}, + "pdb_id":"5uu2", + "resolution":1.223, + "title":"Insulin with proline analog ThioP at position B28 in the T2 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4cxl", - "resolution":1.5, - "title":"Human insulin analogue (D-ProB8)-insulin"}, + "pdb_id":"5usv", + "resolution":1.3, + "title":"Insulin with proline analog AzeP at position B28 in the T2 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4cxl", - "resolution":1.5, - "title":"Human insulin analogue (D-ProB8)-insulin"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2mli", - "title":"NMR structure of B25-(alpha, beta)-dehydro-phenylalanine insulin"}, + "pdb_id":"5usv", + "resolution":1.3, + "title":"Insulin with proline analog AzeP at position B28 in the T2 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5bpo", - "resolution":1.9, - "title":"Human insulin with intra-chain chemical crosslink between modified B27 and B29"}, + "pdb_id":"5urt", + "resolution":1.18, + "title":"Insulin with proline analog DhP at position B28 in the T2 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2wrv", - "resolution":2.15, - "title":"Semi-synthetic highly active analogue of human insulin NMeHisB26-DTI- NH2"}, + "pdb_id":"4f8f", + "resolution":1.676, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2wrv", - "resolution":2.15, - "title":"Semi-synthetic highly active analogue of human insulin NMeHisB26-DTI- NH2"}, + "pdb_id":"4f8f", + "resolution":1.676, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3exx", - "resolution":1.35, - "title":"Structure of the T6 human insulin derivative with nickel at 1.35 A resolution"}, + "pdb_id":"4f1a", + "resolution":1.8, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f1f", - "resolution":1.684, + "pdb_id":"4ey9", + "resolution":1.471, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f1g", - "resolution":1.637, - "title":"Human insulin"}, + "pdb_id":"4fka", + "resolution":1.08, + "title":"High resolution structure of the manganese derivative of insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f0o", - "resolution":1.672, + "pdb_id":"4ey1", + "resolution":1.471, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f1c", - "resolution":1.7, + "pdb_id":"4f1d", + "resolution":1.637, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f1b", - "resolution":1.591, + "pdb_id":"4f1d", + "resolution":1.637, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], @@ -1339,213 +1362,199 @@ "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2vk0", - "resolution":2.2, - "title":"Crystal structure form ultalente insulin microcrystals"}, + "pdb_id":"4f4v", + "resolution":1.637, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4eyp", - "resolution":1.591, + "pdb_id":"4f1f", + "resolution":1.684, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f1d", - "resolution":1.637, + "pdb_id":"4f1f", + "resolution":1.684, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4gbc", - "resolution":1.778, - "title":"Crystal structure of aspart insulin at pH 6.5"}, + "pdb_id":"4exx", + "resolution":1.55, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ex1", - "resolution":1.657, + "pdb_id":"4f0n", + "resolution":1.679, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ey1", + "pdb_id":"4eyd", "resolution":1.471, "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f51", + "pdb_id":"4f1g", "resolution":1.637, - "title":"Human Insulin"}, + "title":"Human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4f4t", + "pdb_id":"4f1g", "resolution":1.637, - "title":"Human Insulin"}, - { - "experimental_method":["X-ray powder diffraction"], - "pdb_id":"1fub", - "title":"FIRST PROTEIN STRUCTURE DETERMINED FROM X-RAY POWDER DIFFRACTION DATA"}, + "title":"Human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3bxq", - "resolution":1.3, - "title":"The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition"}, + "pdb_id":"4eyp", + "resolution":1.591, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1jca", - "resolution":2.5, - "title":"Non-standard Design of Unstable Insulin Analogues with Enhanced Activity"}, + "pdb_id":"4f1b", + "resolution":1.591, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1b9e", - "resolution":2.5, - "title":"HUMAN INSULIN MUTANT SERB9GLU"}, + "pdb_id":"4f1b", + "resolution":1.591, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1b9e", - "resolution":2.5, - "title":"HUMAN INSULIN MUTANT SERB9GLU"}, + "pdb_id":"4f51", + "resolution":1.637, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2r36", - "resolution":2.0, - "title":"Crystal structure of ni human ARG-insulin"}, + "pdb_id":"4f51", + "resolution":1.637, + "title":"Human Insulin"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2ceu", - "resolution":1.8, - "title":"Despentapeptide insulin in acetic acid (pH 2)"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2k91", + "title":"Enhancing the activity of insulin by stereospecific unfolding"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2ceu", - "resolution":1.8, - "title":"Despentapeptide insulin in acetic acid (pH 2)"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7bw8", + "resolution":3.8, + "title":"Cryo-EM Structure for the Insulin Binding Region in the Ectodomain of the Full-length Human Insulin Receptor in Complex with 1 Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3ir0", - "resolution":2.2, - "title":"Crystal Structure of Human Insulin complexed with Cu+2 metal ion"}, + "pdb_id":"4ewz", + "resolution":1.791, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3ir0", - "resolution":2.2, - "title":"Crystal Structure of Human Insulin complexed with Cu+2 metal ion"}, + "pdb_id":"4eyn", + "resolution":1.532, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4gbi", - "resolution":2.502, - "title":"Crystal structure of aspart insulin at pH 6.5"}, + "pdb_id":"7qgf", + "resolution":1.203, + "title":"Cubic Insulin SAD phasing at 14.2 keV"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4f8f", - "resolution":1.676, - "title":"Human Insulin"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7v3p", + "resolution":3.6, + "title":"Cryo-EM structure of the IGF1R/insulin complex"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4gbn", - "resolution":1.872, - "title":"Crystal structure of aspart insulin at pH 6.5"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7v3p", + "resolution":3.6, + "title":"Cryo-EM structure of the IGF1R/insulin complex"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2jmn", + "title":"NMR structure of human insulin mutant His-B10-Asp, Pro-B28-Lys, Lys-B29-Pro, 20 structures"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4fka", - "resolution":1.08, - "title":"High resolution structure of the manganese derivative of insulin"}, + "pdb_id":"3utq", + "resolution":1.67, + "title":"Human HLA-A*0201-ALWGPDPAAA"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7pg3", - "resolution":7.3, - "title":"Low resolution Cryo-EM structure of the full-length insulin receptor bound to 3 insulin, conf 2"}, + "pdb_id":"8guy", + "resolution":4.18, + "title":"human insulin receptor bound with two insulin molecules"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7pg3", - "resolution":7.3, - "title":"Low resolution Cryo-EM structure of the full-length insulin receptor bound to 3 insulin, conf 2"}, + "pdb_id":"8guy", + "resolution":4.18, + "title":"human insulin receptor bound with two insulin molecules"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7pg0", - "resolution":7.6, - "title":"Low resolution Cryo-EM structure of full-length insulin receptor bound to 3 insulin with visible ddm micelle, conf 1"}, + "pdb_id":"7mqs", + "resolution":4.4, + "title":"The insulin receptor ectodomain in complex with three venom hybrid insulin molecules - asymmetric conformation"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7pg0", - "resolution":7.6, - "title":"Low resolution Cryo-EM structure of full-length insulin receptor bound to 3 insulin with visible ddm micelle, conf 1"}, + "pdb_id":"7mqs", + "resolution":4.4, + "title":"The insulin receptor ectodomain in complex with three venom hybrid insulin molecules - asymmetric conformation"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7pg2", - "resolution":6.7, - "title":"Low resolution Cryo-EM structure of full-length insulin receptor bound to 3 insulin, conf 1"}, + "pdb_id":"7sl6", + "resolution":3.7, + "title":"Full-length insulin receptor bound with site 2 binding deficient mutant insulin (B-L17R) -- symmetric conformation"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7pg2", - "resolution":6.7, - "title":"Low resolution Cryo-EM structure of full-length insulin receptor bound to 3 insulin, conf 1"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7pg4", - "resolution":9.1, - "title":"Low resolution Cryo-EM structure of the full-length insulin receptor bound to 2 insulin, conf 3"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7pg4", - "resolution":9.1, - "title":"Low resolution Cryo-EM structure of the full-length insulin receptor bound to 2 insulin, conf 3"}, + "pdb_id":"7sl4", + "resolution":5.0, + "title":"Full-length insulin receptor bound with site 2 binding deficient mutant insulin (B-L17R) -- asymmetric conformation"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5co9", - "resolution":1.92, - "title":"Crystal structure of human zinc insulin at pH 6.5"}, + "pdb_id":"3exx", + "resolution":1.35, + "title":"Structure of the T6 human insulin derivative with nickel at 1.35 A resolution"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5co2", - "resolution":1.7, - "title":"Crystalization of human zinc insulin at pH 5.5"}, + "pdb_id":"3ir0", + "resolution":2.2, + "title":"Crystal Structure of Human Insulin complexed with Cu+2 metal ion"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5co2", - "resolution":1.7, - "title":"Crystalization of human zinc insulin at pH 5.5"}, + "pdb_id":"2vk0", + "resolution":2.2, + "title":"Crystal structure form ultalente insulin microcrystals"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4iuz", - "resolution":1.6, - "title":"High resolution crystal structure of racemic ester insulin"}, + "pdb_id":"1j73", + "resolution":2.0, + "title":"Crystal structure of an unstable insulin analog with native activity."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5cny", - "resolution":1.7, - "title":"Crystal Structure of human zinc insulin at pH 5.5"}, + "pdb_id":"2g54", + "resolution":2.25, + "title":"Crystal structure of Zn-bound human insulin-degrading enzyme in complex with insulin B chain"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4cy7", - "resolution":1.4, - "title":"Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form II"}, + "pdb_id":"1b9e", + "resolution":2.5, + "title":"HUMAN INSULIN MUTANT SERB9GLU"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2vjz", - "resolution":1.8, - "title":"Crystal structure form ultalente insulin microcrystals"}, + "experimental_method":["X-ray powder diffraction"], + "pdb_id":"1fu2", + "title":"FIRST PROTEIN STRUCTURE DETERMINED FROM X-RAY POWDER DIFFRACTION DATA"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6s4i", - "resolution":1.511, - "title":"Crystal structure of zinc free A14E, B25H, B29K(N(eps)-[2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]), desB30 human insulin"}, + "pdb_id":"1jca", + "resolution":2.5, + "title":"Non-standard Design of Unstable Insulin Analogues with Enhanced Activity"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6s4i", - "resolution":1.511, - "title":"Crystal structure of zinc free A14E, B25H, B29K(N(eps)-[2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]), desB30 human insulin"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2k9r", + "title":"Enhancing the activity of insulin by stereospecific unfolding"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6p4z", - "resolution":1.8, - "title":"Structure of gadolinium-caged cobalt (III) insulin hexamer"}, + "pdb_id":"2omi", + "resolution":2.24, + "title":"Structure of human insulin cocrystallized with protamine"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5boq", - "resolution":1.7, - "title":"Human insulin with intra-chain chemical crosslink between modified B24 and B29"}, + "pdb_id":"3bxq", + "resolution":1.3, + "title":"The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5boq", - "resolution":1.7, - "title":"Human insulin with intra-chain chemical crosslink between modified B24 and B29"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2mli", + "title":"NMR structure of B25-(alpha, beta)-dehydro-phenylalanine insulin"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6vet", @@ -1558,27 +1567,9 @@ "title":"Human insulin analog: [GluB10,HisA8,ArgA9,TyrB20]-DOI"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6gv0", - "resolution":1.26, - "title":"Insulin glulisine"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2omi", - "resolution":2.24, - "title":"Structure of human insulin cocrystallized with protamine"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2k9r", - "title":"Enhancing the activity of insulin by stereospecific unfolding"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2k9r", - "title":"Enhancing the activity of insulin by stereospecific unfolding"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4efx", - "resolution":1.98, - "title":"Highly biologically active insulin with additional disulfide bond"}, + "pdb_id":"5usp", + "resolution":1.174, + "title":"Insulin with proline analog Pip at position B28 in the T2 state"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"4efx", @@ -1586,57 +1577,49 @@ "title":"Highly biologically active insulin with additional disulfide bond"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2vk0", - "resolution":2.2, - "title":"Crystal structure form ultalente insulin microcrystals"}, + "pdb_id":"5bpo", + "resolution":1.9, + "title":"Human insulin with intra-chain chemical crosslink between modified B27 and B29"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4gbc", - "resolution":1.778, - "title":"Crystal structure of aspart insulin at pH 6.5"}, + "pdb_id":"5boq", + "resolution":1.7, + "title":"Human insulin with intra-chain chemical crosslink between modified B24 and B29"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2g54", - "resolution":2.25, - "title":"Crystal structure of Zn-bound human insulin-degrading enzyme in complex with insulin B chain"}, - { - "experimental_method":["X-ray powder diffraction"], - "pdb_id":"1fub", - "title":"FIRST PROTEIN STRUCTURE DETERMINED FROM X-RAY POWDER DIFFRACTION DATA"}, - { - "experimental_method":["X-ray powder diffraction"], - "pdb_id":"1fu2", - "title":"FIRST PROTEIN STRUCTURE DETERMINED FROM X-RAY POWDER DIFFRACTION DATA"}, + "pdb_id":"5co2", + "resolution":1.7, + "title":"Crystalization of human zinc insulin at pH 5.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1ev3", - "resolution":1.78, - "title":"Structure of the rhombohedral form of the M-cresol/insulin R6 hexamer"}, + "pdb_id":"5cny", + "resolution":1.7, + "title":"Crystal Structure of human zinc insulin at pH 5.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1j73", - "resolution":2.0, - "title":"Crystal structure of an unstable insulin analog with native activity."}, + "pdb_id":"5uu2", + "resolution":1.223, + "title":"Insulin with proline analog ThioP at position B28 in the T2 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1j73", - "resolution":2.0, - "title":"Crystal structure of an unstable insulin analog with native activity."}, + "pdb_id":"5urt", + "resolution":1.18, + "title":"Insulin with proline analog DhP at position B28 in the T2 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2r36", - "resolution":2.0, - "title":"Crystal structure of ni human ARG-insulin"}, + "pdb_id":"4gbn", + "resolution":1.872, + "title":"Crystal structure of aspart insulin at pH 6.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4gbi", - "resolution":2.502, + "pdb_id":"4gbc", + "resolution":1.778, "title":"Crystal structure of aspart insulin at pH 6.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4gbn", - "resolution":1.872, - "title":"Crystal structure of aspart insulin at pH 6.5"}, + "pdb_id":"4fka", + "resolution":1.08, + "title":"High resolution structure of the manganese derivative of insulin"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"4gbl", @@ -1644,102 +1627,77 @@ "title":"Crystal structure of aspart insulin at pH 8.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4gbl", - "resolution":2.5, - "title":"Crystal structure of aspart insulin at pH 8.5"}, + "pdb_id":"4iuz", + "resolution":1.6, + "title":"High resolution crystal structure of racemic ester insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4gbk", - "resolution":2.4, - "title":"Crystal structure of aspart insulin at pH 8.5"}, + "pdb_id":"4f0o", + "resolution":1.672, + "title":"Human Insulin"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"4gbk", "resolution":2.4, "title":"Crystal structure of aspart insulin at pH 8.5"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6ce7", - "resolution":7.4, - "title":"Insulin Receptor ectodomain in complex with one insulin molecule"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2jmn", - "title":"NMR structure of human insulin mutant His-B10-Asp, Pro-B28-Lys, Lys-B29-Pro, 20 structures"}, - { - "experimental_method":["Solution NMR"], - "pdb_id":"2jmn", - "title":"NMR structure of human insulin mutant His-B10-Asp, Pro-B28-Lys, Lys-B29-Pro, 20 structures"}, - { "experimental_method":["X-ray diffraction"], - "pdb_id":"3utq", - "resolution":1.67, - "title":"Human HLA-A*0201-ALWGPDPAAA"}, + "pdb_id":"4cy7", + "resolution":1.4, + "title":"Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form II"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5co9", - "resolution":1.92, - "title":"Crystal structure of human zinc insulin at pH 6.5"}, + "pdb_id":"4gbi", + "resolution":2.502, + "title":"Crystal structure of aspart insulin at pH 6.5"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5co6", - "resolution":1.8, - "title":"Crystal structure of human zinc insulin at pH 6.5"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7yq3", + "resolution":3.6, + "title":"human insulin receptor bound with A43 DNA aptamer and insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5co6", + "pdb_id":"2vjz", "resolution":1.8, - "title":"Crystal structure of human zinc insulin at pH 6.5"}, + "title":"Crystal structure form ultalente insulin microcrystals"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ems", - "resolution":2.3, - "title":"Crystal Structure of an iodinated insulin analog"}, + "pdb_id":"2vk0", + "resolution":2.2, + "title":"Crystal structure form ultalente insulin microcrystals"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3e7z", - "resolution":1.7, - "title":"Structure of human insulin"}, + "pdb_id":"1j73", + "resolution":2.0, + "title":"Crystal structure of an unstable insulin analog with native activity."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3e7z", - "resolution":1.7, - "title":"Structure of human insulin"}, + "pdb_id":"1ev3", + "resolution":1.78, + "title":"Structure of the rhombohedral form of the M-cresol/insulin R6 hexamer"}, + { + "experimental_method":["X-ray powder diffraction"], + "pdb_id":"1fub", + "title":"FIRST PROTEIN STRUCTURE DETERMINED FROM X-RAY POWDER DIFFRACTION DATA"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"2k9r", + "title":"Enhancing the activity of insulin by stereospecific unfolding"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3zu1", + "pdb_id":"1uz9", "resolution":1.6, - "title":"Structure of LysB29(Nepsilon omega-carboxyheptadecanoyl) des(B30) Human Insulin"}, + "title":"Crystallographic and solution studies of N-lithocholyl insulin: a new generation of prolonged-acting insulins."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3zu1", - "resolution":1.6, - "title":"Structure of LysB29(Nepsilon omega-carboxyheptadecanoyl) des(B30) Human Insulin"}, + "pdb_id":"2omi", + "resolution":2.24, + "title":"Structure of human insulin cocrystallized with protamine"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4cy7", - "resolution":1.4, - "title":"Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form II"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6p4z", - "resolution":1.8, - "title":"Structure of gadolinium-caged cobalt (III) insulin hexamer"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6s4j", - "resolution":1.5, - "title":"Crystal structure of zinc free A14E, B25H, B29K(N(eps)-[2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]), desB27, desB30 human insulin"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6s4j", - "resolution":1.5, - "title":"Crystal structure of zinc free A14E, B25H, B29K(N(eps)-[2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]), desB27, desB30 human insulin"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6gnq", - "resolution":2.2, - "title":"Monoclinic crystalline form of human insulin, complexed with meta-cresol"}, + "pdb_id":"2r36", + "resolution":2.0, + "title":"Crystal structure of ni human ARG-insulin"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6gv0", @@ -1747,88 +1705,74 @@ "title":"Insulin glulisine"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1uz9", - "resolution":1.6, - "title":"Crystallographic and solution studies of N-lithocholyl insulin: a new generation of prolonged-acting insulins."}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"1uz9", - "resolution":1.6, - "title":"Crystallographic and solution studies of N-lithocholyl insulin: a new generation of prolonged-acting insulins."}, + "pdb_id":"6s4i", + "resolution":1.511, + "title":"Crystal structure of zinc free A14E, B25H, B29K(N(eps)-[2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]), desB30 human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2omi", - "resolution":2.24, - "title":"Structure of human insulin cocrystallized with protamine"}, + "pdb_id":"6s4i", + "resolution":1.511, + "title":"Crystal structure of zinc free A14E, B25H, B29K(N(eps)-[2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]), desB30 human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2w44", - "resolution":2.0, - "title":"Structure DeltaA1-A4 insulin"}, + "pdb_id":"6s4j", + "resolution":1.5, + "title":"Crystal structure of zinc free A14E, B25H, B29K(N(eps)-[2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]), desB27, desB30 human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2ws7", - "resolution":2.59, - "title":"Semi-synthetic analogue of human insulin ProB26-DTI"}, - { - "experimental_method":["X-ray powder diffraction"], - "pdb_id":"1fu2", - "title":"FIRST PROTEIN STRUCTURE DETERMINED FROM X-RAY POWDER DIFFRACTION DATA"}, + "pdb_id":"6p4z", + "resolution":1.8, + "title":"Structure of gadolinium-caged cobalt (III) insulin hexamer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1ev6", - "resolution":1.9, - "title":"Structure of the monoclinic form of the M-cresol/insulin R6 hexamer"}, + "pdb_id":"4efx", + "resolution":1.98, + "title":"Highly biologically active insulin with additional disulfide bond"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1ev6", - "resolution":1.9, - "title":"Structure of the monoclinic form of the M-cresol/insulin R6 hexamer"}, + "pdb_id":"5boq", + "resolution":1.7, + "title":"Human insulin with intra-chain chemical crosslink between modified B24 and B29"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1ev3", - "resolution":1.78, - "title":"Structure of the rhombohedral form of the M-cresol/insulin R6 hexamer"}, + "pdb_id":"5co2", + "resolution":1.7, + "title":"Crystalization of human zinc insulin at pH 5.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1evr", - "resolution":1.9, - "title":"The structure of the resorcinol/insulin R6 hexamer"}, + "pdb_id":"5cny", + "resolution":1.7, + "title":"Crystal Structure of human zinc insulin at pH 5.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1guj", - "resolution":1.62, - "title":"Insulin at pH 2: structural analysis of the conditions promoting insulin fibre formation."}, + "pdb_id":"4gbn", + "resolution":1.872, + "title":"Crystal structure of aspart insulin at pH 6.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1guj", - "resolution":1.62, - "title":"Insulin at pH 2: structural analysis of the conditions promoting insulin fibre formation."}, + "pdb_id":"4gbc", + "resolution":1.778, + "title":"Crystal structure of aspart insulin at pH 6.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1trz", - "resolution":1.6, - "title":"CRYSTALLOGRAPHIC EVIDENCE FOR DUAL COORDINATION AROUND ZINC IN THE T3R3 HUMAN INSULIN HEXAMER"}, + "pdb_id":"4gbl", + "resolution":2.5, + "title":"Crystal structure of aspart insulin at pH 8.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1trz", + "pdb_id":"4iuz", "resolution":1.6, - "title":"CRYSTALLOGRAPHIC EVIDENCE FOR DUAL COORDINATION AROUND ZINC IN THE T3R3 HUMAN INSULIN HEXAMER"}, + "title":"High resolution crystal structure of racemic ester insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1qj0", + "pdb_id":"4gbk", "resolution":2.4, - "title":"HUMAN INSULIN HEXAMERS WITH CHAIN B HIS MUTATED TO TYR"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3e7y", - "resolution":1.6, - "title":"Structure of human insulin"}, + "title":"Crystal structure of aspart insulin at pH 8.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3e7y", - "resolution":1.6, - "title":"Structure of human insulin"}, + "pdb_id":"4cy7", + "resolution":1.4, + "title":"Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form II"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"4nib", @@ -1836,34 +1780,39 @@ "title":"Crystal structure of human insulin mutant B20 D-ala, B23 D-ala"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4nib", - "resolution":1.4, - "title":"Crystal structure of human insulin mutant B20 D-ala, B23 D-ala"}, + "pdb_id":"3zu1", + "resolution":1.6, + "title":"Structure of LysB29(Nepsilon omega-carboxyheptadecanoyl) des(B30) Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7s4y", - "resolution":1.71, - "title":"Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Insulin"}, + "pdb_id":"5co9", + "resolution":1.92, + "title":"Crystal structure of human zinc insulin at pH 6.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7s4y", - "resolution":1.71, - "title":"Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Insulin"}, + "pdb_id":"4gbi", + "resolution":2.502, + "title":"Crystal structure of aspart insulin at pH 6.5"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6ce7", - "resolution":7.4, - "title":"Insulin Receptor ectodomain in complex with one insulin molecule"}, + "pdb_id":"7sth", + "resolution":3.5, + "title":"Full-length insulin receptor bound with unsaturated insulin WT (2 insulin bound) symmetric conformation"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6hn5", - "resolution":3.2, - "title":"Leucine-zippered human insulin receptor ectodomain with single bound insulin - \"upper\" membrane-distal part"}, + "pdb_id":"7sti", + "resolution":4.9, + "title":"Full-length insulin receptor bound with unsaturated insulin WT (1 insulin bound) asymmetric conformation"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"1jk8", - "resolution":2.4, - "title":"Crystal structure of a human insulin peptide-HLA-DQ8 complex"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7stj", + "resolution":4.4, + "title":"Full-length insulin receptor bound with unsaturated insulin WT (2 insulins bound) asymmetric conformation (Conformation 1)"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7stk", + "resolution":4.0, + "title":"Full-length insulin receptor bound with unsaturated insulin WT (2 insulins bound) asymmetric conformation (Conformation 2)"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"2wby", @@ -1875,120 +1824,118 @@ "resolution":2.6, "title":"Crystal structure of human insulin-degrading enzyme in complex with insulin"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4ajx", - "resolution":1.2, - "title":"Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7pg4", + "resolution":9.1, + "title":"Low resolution Cryo-EM structure of the full-length insulin receptor bound to 2 insulin, conf 3"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4ajx", - "resolution":1.2, - "title":"Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7pg4", + "resolution":9.1, + "title":"Low resolution Cryo-EM structure of the full-length insulin receptor bound to 2 insulin, conf 3"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4akj", - "resolution":2.01, - "title":"Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7pg3", + "resolution":7.3, + "title":"Low resolution Cryo-EM structure of the full-length insulin receptor bound to 3 insulin, conf 2"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4ajz", - "resolution":1.8, - "title":"Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7pg3", + "resolution":7.3, + "title":"Low resolution Cryo-EM structure of the full-length insulin receptor bound to 3 insulin, conf 2"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5ems", - "resolution":2.3, - "title":"Crystal Structure of an iodinated insulin analog"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7pg0", + "resolution":7.6, + "title":"Low resolution Cryo-EM structure of full-length insulin receptor bound to 3 insulin with visible ddm micelle, conf 1"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5uss", - "resolution":2.061, - "title":"Insulin with proline analog PiP at position B28 in the R6 state"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7pg0", + "resolution":7.6, + "title":"Low resolution Cryo-EM structure of full-length insulin receptor bound to 3 insulin with visible ddm micelle, conf 1"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5uss", - "resolution":2.061, - "title":"Insulin with proline analog PiP at position B28 in the R6 state"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7pg2", + "resolution":6.7, + "title":"Low resolution Cryo-EM structure of full-length insulin receptor bound to 3 insulin, conf 1"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5mt3", - "resolution":2.02, - "title":"Human insulin in complex with serotonin and arginine"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7pg2", + "resolution":6.7, + "title":"Low resolution Cryo-EM structure of full-length insulin receptor bound to 3 insulin, conf 1"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5uu3", - "resolution":2.25, - "title":"Insulin with proline analog DfP at position B28 in the R6 state"}, + "experimental_method":["Solution NMR"], + "pdb_id":"2jmn", + "title":"NMR structure of human insulin mutant His-B10-Asp, Pro-B28-Lys, Lys-B29-Pro, 20 structures"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5hrq", - "resolution":1.28, - "title":"Insulin with proline analog HzP at position B28 in the R6 state"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7u6e", + "resolution":3.0, + "title":"Head region of insulin receptor ectodomain (A-isoform) bound to the non-insulin agonist IM462"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5uru", - "resolution":2.41, - "title":"Insulin with proline analog DhP at position B28 in the R6 state"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"6ce7", + "resolution":7.4, + "title":"Insulin Receptor ectodomain in complex with one insulin molecule"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5hpr", - "resolution":1.33, - "title":"Insulin with proline analog HyP at position B28 in the T2 state"}, + "pdb_id":"2ws7", + "resolution":2.59, + "title":"Semi-synthetic analogue of human insulin ProB26-DTI"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5hpr", - "resolution":1.33, - "title":"Insulin with proline analog HyP at position B28 in the T2 state"}, + "pdb_id":"2ws7", + "resolution":2.59, + "title":"Semi-synthetic analogue of human insulin ProB26-DTI"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5udp", - "resolution":1.348, - "title":"High resolution x-ray crystal structure of synthetic insulin lispro"}, + "pdb_id":"3e7y", + "resolution":1.6, + "title":"Structure of human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5udp", - "resolution":1.348, - "title":"High resolution x-ray crystal structure of synthetic insulin lispro"}, + "pdb_id":"3e7y", + "resolution":1.6, + "title":"Structure of human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5mt9", - "resolution":1.88, - "title":"Human insulin in complex with serotonin and arginine"}, + "pdb_id":"2w44", + "resolution":2.0, + "title":"Structure DeltaA1-A4 insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3zqr", - "resolution":1.9, - "title":"NMePheB25 insulin analogue crystal structure"}, + "pdb_id":"3e7z", + "resolution":1.7, + "title":"Structure of human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3zqr", - "resolution":1.9, - "title":"NMePheB25 insulin analogue crystal structure"}, + "pdb_id":"3e7z", + "resolution":1.7, + "title":"Structure of human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3kq6", + "pdb_id":"1evr", "resolution":1.9, - "title":"Enhancing the Therapeutic Properties of a Protein by a Designed Zinc-Binding Site, Structural principles of a novel long-acting insulin analog"}, + "title":"The structure of the resorcinol/insulin R6 hexamer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3kq6", - "resolution":1.9, - "title":"Enhancing the Therapeutic Properties of a Protein by a Designed Zinc-Binding Site, Structural principles of a novel long-acting insulin analog"}, + "pdb_id":"1ev3", + "resolution":1.78, + "title":"Structure of the rhombohedral form of the M-cresol/insulin R6 hexamer"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6nwv", - "resolution":1.601, - "title":"Insulin Lispro Analog"}, + "experimental_method":["X-ray powder diffraction"], + "pdb_id":"1fu2", + "title":"FIRST PROTEIN STRUCTURE DETERMINED FROM X-RAY POWDER DIFFRACTION DATA"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6gnq", - "resolution":2.2, - "title":"Monoclinic crystalline form of human insulin, complexed with meta-cresol"}, + "pdb_id":"1ev6", + "resolution":1.9, + "title":"Structure of the monoclinic form of the M-cresol/insulin R6 hexamer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1w8p", - "resolution":2.08, - "title":"Structural properties of the B25Tyr-NMe-B26Phe insulin mutant."}, + "pdb_id":"1ev6", + "resolution":1.9, + "title":"Structure of the monoclinic form of the M-cresol/insulin R6 hexamer"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"1w8p", @@ -1996,189 +1943,189 @@ "title":"Structural properties of the B25Tyr-NMe-B26Phe insulin mutant."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1znj", - "resolution":2.0, - "title":"INSULIN, MONOCLINIC CRYSTAL FORM"}, + "pdb_id":"1guj", + "resolution":1.62, + "title":"Insulin at pH 2: structural analysis of the conditions promoting insulin fibre formation."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1znj", - "resolution":2.0, - "title":"INSULIN, MONOCLINIC CRYSTAL FORM"}, + "pdb_id":"1guj", + "resolution":1.62, + "title":"Insulin at pH 2: structural analysis of the conditions promoting insulin fibre formation."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3p33", - "resolution":2.3, - "title":"Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity"}, + "pdb_id":"1uz9", + "resolution":1.6, + "title":"Crystallographic and solution studies of N-lithocholyl insulin: a new generation of prolonged-acting insulins."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2w44", - "resolution":2.0, - "title":"Structure DeltaA1-A4 insulin"}, + "pdb_id":"2om0", + "resolution":2.05, + "title":"Structure of human insulin in presence of urea at pH 6.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2ws7", - "resolution":2.59, - "title":"Semi-synthetic analogue of human insulin ProB26-DTI"}, + "pdb_id":"2olz", + "resolution":1.7, + "title":"Structure of human insulin in presence of thiocyanate at pH 7.0"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3v1g", - "resolution":2.2, - "title":"Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health"}, + "pdb_id":"1qj0", + "resolution":2.4, + "title":"HUMAN INSULIN HEXAMERS WITH CHAIN B HIS MUTATED TO TYR"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3v1g", - "resolution":2.2, - "title":"Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health"}, + "pdb_id":"6gv0", + "resolution":1.26, + "title":"Insulin glulisine"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4fg3", - "resolution":2.001, - "title":"Crystal Structure Analysis of the Human Insulin"}, + "pdb_id":"6s4j", + "resolution":1.5, + "title":"Crystal structure of zinc free A14E, B25H, B29K(N(eps)-[2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]), desB27, desB30 human insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4fg3", - "resolution":2.001, - "title":"Crystal Structure Analysis of the Human Insulin"}, + "pdb_id":"6gnq", + "resolution":2.2, + "title":"Monoclinic crystalline form of human insulin, complexed with meta-cresol"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3v19", - "resolution":2.0, - "title":"Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health"}, + "pdb_id":"6p4z", + "resolution":1.8, + "title":"Structure of gadolinium-caged cobalt (III) insulin hexamer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3v19", - "resolution":2.0, + "pdb_id":"3v1g", + "resolution":2.2, "title":"Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1lph", + "pdb_id":"5ems", "resolution":2.3, - "title":"LYS(B28)PRO(B29)-HUMAN INSULIN"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"1g7a", - "resolution":1.2, - "title":"1.2 A structure of T3R3 human insulin at 100 K"}, + "title":"Crystal Structure of an iodinated insulin analog"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1g7a", - "resolution":1.2, - "title":"1.2 A structure of T3R3 human insulin at 100 K"}, + "pdb_id":"5co6", + "resolution":1.8, + "title":"Crystal structure of human zinc insulin at pH 6.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1g7b", - "resolution":1.3, - "title":"1.3 A STRUCTURE OF T3R3 HUMAN INSULIN AT 100 K"}, + "pdb_id":"5co6", + "resolution":1.8, + "title":"Crystal structure of human zinc insulin at pH 6.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1g7b", - "resolution":1.3, - "title":"1.3 A STRUCTURE OF T3R3 HUMAN INSULIN AT 100 K"}, + "pdb_id":"4fg3", + "resolution":2.001, + "title":"Crystal Structure Analysis of the Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1evr", + "pdb_id":"3zqr", "resolution":1.9, - "title":"The structure of the resorcinol/insulin R6 hexamer"}, + "title":"NMePheB25 insulin analogue crystal structure"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1ben", + "pdb_id":"4nib", "resolution":1.4, - "title":"INSULIN COMPLEXED WITH 4-HYDROXYBENZAMIDE"}, + "title":"Crystal structure of human insulin mutant B20 D-ala, B23 D-ala"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1xw7", - "resolution":2.3, - "title":"Diabetes-Associated Mutations in Human Insulin: Crystal Structure and Photo-Cross-Linking Studies of A-Chain Variant Insulin Wakayama"}, + "pdb_id":"3zu1", + "resolution":1.6, + "title":"Structure of LysB29(Nepsilon omega-carboxyheptadecanoyl) des(B30) Human Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1xw7", - "resolution":2.3, - "title":"Diabetes-Associated Mutations in Human Insulin: Crystal Structure and Photo-Cross-Linking Studies of A-Chain Variant Insulin Wakayama"}, + "pdb_id":"3zs2", + "resolution":1.97, + "title":"TyrB25,NMePheB26,LysB28,ProB29-insulin analogue crystal structure"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1rwe", - "resolution":1.8, - "title":"Enhancing the activity of insulin at receptor edge: crystal structure and photo-cross-linking of A8 analogues"}, + "pdb_id":"3v19", + "resolution":2.0, + "title":"Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1rwe", - "resolution":1.8, - "title":"Enhancing the activity of insulin at receptor edge: crystal structure and photo-cross-linking of A8 analogues"}, + "pdb_id":"5co9", + "resolution":1.92, + "title":"Crystal structure of human zinc insulin at pH 6.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1qj0", - "resolution":2.4, - "title":"HUMAN INSULIN HEXAMERS WITH CHAIN B HIS MUTATED TO TYR"}, + "pdb_id":"7s4y", + "resolution":1.71, + "title":"Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2om1", - "resolution":1.97, - "title":"Structure of human insulin in presence of thiocyanate at pH 6.5"}, + "pdb_id":"7s4y", + "resolution":1.71, + "title":"Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2om0", - "resolution":2.05, - "title":"Structure of human insulin in presence of urea at pH 6.5"}, + "pdb_id":"1jk8", + "resolution":2.4, + "title":"Crystal structure of a human insulin peptide-HLA-DQ8 complex"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2om0", - "resolution":2.05, - "title":"Structure of human insulin in presence of urea at pH 6.5"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"6hn5", + "resolution":3.2, + "title":"Leucine-zippered human insulin receptor ectodomain with single bound insulin - \"upper\" membrane-distal part"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2omg", - "resolution":1.52, - "title":"Structure of human insulin cocrystallized with protamine and urea"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7mqo", + "resolution":3.4, + "title":"The insulin receptor ectodomain in complex with a venom hybrid insulin analog - \"head\" region"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2olz", - "resolution":1.7, - "title":"Structure of human insulin in presence of thiocyanate at pH 7.0"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7mqr", + "resolution":4.1, + "title":"The insulin receptor ectodomain in complex with four venom hybrid insulins - symmetric conformation"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"2olz", - "resolution":1.7, - "title":"Structure of human insulin in presence of thiocyanate at pH 7.0"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7mqr", + "resolution":4.1, + "title":"The insulin receptor ectodomain in complex with four venom hybrid insulins - symmetric conformation"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3zs2", - "resolution":1.97, - "title":"TyrB25,NMePheB26,LysB28,ProB29-insulin analogue crystal structure"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"8guy", + "resolution":4.18, + "title":"human insulin receptor bound with two insulin molecules"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"3zs2", - "resolution":1.97, - "title":"TyrB25,NMePheB26,LysB28,ProB29-insulin analogue crystal structure"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"6ce7", + "resolution":7.4, + "title":"Insulin Receptor ectodomain in complex with one insulin molecule"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6ck2", - "resolution":2.25, - "title":"Insulin analog containing a YB26W mutation"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7yq3", + "resolution":3.6, + "title":"human insulin receptor bound with A43 DNA aptamer and insulin"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"4wdi", - "resolution":2.313, - "title":"Weak TCR binding to an unstable insulin epitope drives type 1 diabetes"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7sl7", + "resolution":3.1, + "title":"Full-length insulin receptor bound with both site 1 binding deficient mutant insulin (A-V3E) and site 2 binding deficient mutant insulin (A-L13R)"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6hn5", - "resolution":3.2, - "title":"Leucine-zippered human insulin receptor ectodomain with single bound insulin - \"upper\" membrane-distal part"}, + "pdb_id":"7sl7", + "resolution":3.1, + "title":"Full-length insulin receptor bound with both site 1 binding deficient mutant insulin (A-V3E) and site 2 binding deficient mutant insulin (A-L13R)"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"2wc0", "resolution":2.8, "title":"crystal structure of human insulin degrading enzyme in complex with iodinated insulin"}, { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6hn5", + "resolution":3.2, + "title":"Leucine-zippered human insulin receptor ectodomain with single bound insulin - \"upper\" membrane-distal part"}, + { "experimental_method":["X-ray diffraction"], - "pdb_id":"2wc0", - "resolution":2.8, - "title":"crystal structure of human insulin degrading enzyme in complex with iodinated insulin"}, + "pdb_id":"4wdi", + "resolution":2.313, + "title":"Weak TCR binding to an unstable insulin epitope drives type 1 diabetes"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6sof", - "resolution":4.3, - "title":"human insulin receptor ectodomain bound by 4 insulin"}, + "pdb_id":"7mqo", + "resolution":3.4, + "title":"The insulin receptor ectodomain in complex with a venom hybrid insulin analog - \"head\" region"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6z7y", @@ -2191,6 +2138,16 @@ "title":"Human insulin in complex with the analytical antibody OXI-005 Fab"}, { "experimental_method":["Electron Microscopy"], + "pdb_id":"6sof", + "resolution":4.3, + "title":"human insulin receptor ectodomain bound by 4 insulin"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7yq3", + "resolution":3.6, + "title":"human insulin receptor bound with A43 DNA aptamer and insulin"}, + { + "experimental_method":["Electron Microscopy"], "pdb_id":"7qid", "resolution":5.0, "title":"tentative model of the human insulin receptor ectodomain bound by three insulin"}, @@ -2200,100 +2157,125 @@ "resolution":5.0, "title":"tentative model of the human insulin receptor ectodomain bound by three insulin"}, { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7sl7", + "resolution":3.1, + "title":"Full-length insulin receptor bound with both site 1 binding deficient mutant insulin (A-V3E) and site 2 binding deficient mutant insulin (A-L13R)"}, + { "experimental_method":["X-ray diffraction"], - "pdb_id":"4akj", - "resolution":2.01, - "title":"Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin"}, + "pdb_id":"2w44", + "resolution":2.0, + "title":"Structure DeltaA1-A4 insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5mam", - "resolution":2.2, - "title":"Human insulin in complex with serotonin"}, + "pdb_id":"2omh", + "resolution":1.36, + "title":"Structure of human insulin cocrystallized with ARG-12 peptide in presence of urea"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5mam", - "resolution":2.2, - "title":"Human insulin in complex with serotonin"}, + "pdb_id":"3jsd", + "resolution":2.5, + "title":"Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5mt3", - "resolution":2.02, - "title":"Human insulin in complex with serotonin and arginine"}, + "pdb_id":"3kq6", + "resolution":1.9, + "title":"Enhancing the Therapeutic Properties of a Protein by a Designed Zinc-Binding Site, Structural principles of a novel long-acting insulin analog"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5uu3", - "resolution":2.25, - "title":"Insulin with proline analog DfP at position B28 in the R6 state"}, + "pdb_id":"3kq6", + "resolution":1.9, + "title":"Enhancing the Therapeutic Properties of a Protein by a Designed Zinc-Binding Site, Structural principles of a novel long-acting insulin analog"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5uu4", - "resolution":1.973, - "title":"Insulin with proline analog ThioP at position B28 in the R6 state"}, + "pdb_id":"1lph", + "resolution":2.3, + "title":"LYS(B28)PRO(B29)-HUMAN INSULIN"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5uu4", - "resolution":1.973, - "title":"Insulin with proline analog ThioP at position B28 in the R6 state"}, + "pdb_id":"1lph", + "resolution":2.3, + "title":"LYS(B28)PRO(B29)-HUMAN INSULIN"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5hrq", - "resolution":1.28, - "title":"Insulin with proline analog HzP at position B28 in the R6 state"}, + "pdb_id":"1rwe", + "resolution":1.8, + "title":"Enhancing the activity of insulin at receptor edge: crystal structure and photo-cross-linking of A8 analogues"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5uru", - "resolution":2.41, - "title":"Insulin with proline analog DhP at position B28 in the R6 state"}, + "pdb_id":"1rwe", + "resolution":1.8, + "title":"Enhancing the activity of insulin at receptor edge: crystal structure and photo-cross-linking of A8 analogues"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5mt9", - "resolution":1.88, - "title":"Human insulin in complex with serotonin and arginine"}, + "pdb_id":"3p33", + "resolution":2.3, + "title":"Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"4ajz", - "resolution":1.8, - "title":"Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin"}, + "pdb_id":"3p33", + "resolution":2.3, + "title":"Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5hpu", - "resolution":2.2, - "title":"Insulin with proline analog HyP at position B28 in the R6 state"}, + "pdb_id":"1evr", + "resolution":1.9, + "title":"The structure of the resorcinol/insulin R6 hexamer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5hpu", - "resolution":2.2, - "title":"Insulin with proline analog HyP at position B28 in the R6 state"}, + "pdb_id":"1ben", + "resolution":1.4, + "title":"INSULIN COMPLEXED WITH 4-HYDROXYBENZAMIDE"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6nwv", - "resolution":1.601, - "title":"Insulin Lispro Analog"}, + "pdb_id":"1ben", + "resolution":1.4, + "title":"INSULIN COMPLEXED WITH 4-HYDROXYBENZAMIDE"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6bfc", - "resolution":3.7, - "title":"Cryo-EM structure of human insulin degrading enzyme in complex with insulin"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"1w8p", + "resolution":2.08, + "title":"Structural properties of the B25Tyr-NMe-B26Phe insulin mutant."}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7bwa", - "resolution":4.9, - "title":"Cryo-EM Structure for the Ectodomain of the Full-length Human Insulin Receptor in Complex with 2 Insulin"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"2om0", + "resolution":2.05, + "title":"Structure of human insulin in presence of urea at pH 6.5"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7bw8", - "resolution":3.8, - "title":"Cryo-EM Structure for the Insulin Binding Region in the Ectodomain of the Full-length Human Insulin Receptor in Complex with 1 Insulin"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"2om1", + "resolution":1.97, + "title":"Structure of human insulin in presence of thiocyanate at pH 6.5"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7bw7", - "resolution":4.1, - "title":"Cryo-EM Structure for the Ectodomain of the Full-length Human Insulin Receptor in Complex with 1 Insulin."}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"2olz", + "resolution":1.7, + "title":"Structure of human insulin in presence of thiocyanate at pH 7.0"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6tyh", - "resolution":1.600019, - "title":"Four-Disulfide Insulin Analog A22/B22"}, + "pdb_id":"2omg", + "resolution":1.52, + "title":"Structure of human insulin cocrystallized with protamine and urea"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"1qj0", + "resolution":2.4, + "title":"HUMAN INSULIN HEXAMERS WITH CHAIN B HIS MUTATED TO TYR"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"2omg", + "resolution":1.52, + "title":"Structure of human insulin cocrystallized with protamine and urea"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6nwv", + "resolution":1.601, + "title":"Insulin Lispro Analog"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6gnq", + "resolution":2.2, + "title":"Monoclinic crystalline form of human insulin, complexed with meta-cresol"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6tyh", @@ -2301,77 +2283,97 @@ "title":"Four-Disulfide Insulin Analog A22/B22"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5bqq", - "resolution":1.54, - "title":"Human insulin with intra-chain chemical crosslink between modified B27 and B30"}, + "pdb_id":"5uu3", + "resolution":2.25, + "title":"Insulin with proline analog DfP at position B28 in the R6 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3p33", - "resolution":2.3, - "title":"Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity"}, + "pdb_id":"5hpu", + "resolution":2.2, + "title":"Insulin with proline analog HyP at position B28 in the R6 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3fq9", - "resolution":1.35, - "title":"Design of an insulin analog with enhanced receptor-binding selectivity. Rationale, structure, and therapeutic implications"}, + "pdb_id":"5hpr", + "resolution":1.33, + "title":"Insulin with proline analog HyP at position B28 in the T2 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3fq9", - "resolution":1.35, - "title":"Design of an insulin analog with enhanced receptor-binding selectivity. Rationale, structure, and therapeutic implications"}, + "pdb_id":"5hpr", + "resolution":1.33, + "title":"Insulin with proline analog HyP at position B28 in the T2 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3p2x", - "resolution":2.0, - "title":"Insulin fibrillation is the Janus face of induced fit. A chiaral clamp stabilizes the native state at the expense of activity"}, + "pdb_id":"4ajz", + "resolution":1.8, + "title":"Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3p2x", - "resolution":2.0, - "title":"Insulin fibrillation is the Janus face of induced fit. A chiaral clamp stabilizes the native state at the expense of activity"}, + "pdb_id":"3v1g", + "resolution":2.2, + "title":"Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1lph", - "resolution":2.3, - "title":"LYS(B28)PRO(B29)-HUMAN INSULIN"}, + "pdb_id":"5mt3", + "resolution":2.02, + "title":"Human insulin in complex with serotonin and arginine"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1qiz", - "resolution":2.0, - "title":"HUMAN INSULIN HEXAMERS WITH CHAIN B HIS MUTATED TO TYR COMPLEXED WITH RESORCINOL"}, + "pdb_id":"4p65", + "resolution":1.5, + "title":"Crystal structure of an cyclohexylalanine substituted insulin analog."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1qiz", - "resolution":2.0, - "title":"HUMAN INSULIN HEXAMERS WITH CHAIN B HIS MUTATED TO TYR COMPLEXED WITH RESORCINOL"}, + "pdb_id":"6ck2", + "resolution":2.25, + "title":"Insulin analog containing a YB26W mutation"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"1ben", - "resolution":1.4, - "title":"INSULIN COMPLEXED WITH 4-HYDROXYBENZAMIDE"}, + "pdb_id":"5mt9", + "resolution":1.88, + "title":"Human insulin in complex with serotonin and arginine"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2om1", - "resolution":1.97, - "title":"Structure of human insulin in presence of thiocyanate at pH 6.5"}, + "pdb_id":"5mam", + "resolution":2.2, + "title":"Human insulin in complex with serotonin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2omg", - "resolution":1.52, - "title":"Structure of human insulin cocrystallized with protamine and urea"}, + "pdb_id":"5uss", + "resolution":2.061, + "title":"Insulin with proline analog PiP at position B28 in the R6 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"2oly", - "resolution":1.7, - "title":"Structure of human insulin in presence of urea at pH 7.0"}, + "pdb_id":"5uss", + "resolution":2.061, + "title":"Insulin with proline analog PiP at position B28 in the R6 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3jsd", - "resolution":2.5, - "title":"Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus"}, + "pdb_id":"5uru", + "resolution":2.41, + "title":"Insulin with proline analog DhP at position B28 in the R6 state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"3jsd", - "resolution":2.5, - "title":"Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus"}] + "pdb_id":"5udp", + "resolution":1.348, + "title":"High resolution x-ray crystal structure of synthetic insulin lispro"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5udp", + "resolution":1.348, + "title":"High resolution x-ray crystal structure of synthetic insulin lispro"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5ems", + "resolution":2.3, + "title":"Crystal Structure of an iodinated insulin analog"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5hrq", + "resolution":1.28, + "title":"Insulin with proline analog HzP at position B28 in the R6 state"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"4fg3", + "resolution":2.001, + "title":"Crystal Structure Analysis of the Human Insulin"}] }} diff --git a/test/jalview/fts/threedbeacons/p01308_tdb_fts_query_resp.txt b/test/jalview/fts/threedbeacons/p01308_tdb_fts_query_resp.txt index 6c0ede4..214078b 100644 --- a/test/jalview/fts/threedbeacons/p01308_tdb_fts_query_resp.txt +++ b/test/jalview/fts/threedbeacons/p01308_tdb_fts_query_resp.txt @@ -1 +1 @@ -{"uniprot_entry":{"sequence_length":110,"ac":"P01308","id":"INS_HUMAN"},"structures":[{"model_identifier":"3w7y","model_category":"EXPERIMENTALLY 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+https://www.ebi.ac.uk/pdbe/search/pdb/select?wt=json&fl=pdb_id,title,experimental_method,resolution&rows=500&start=0&q=(7vfa+OR+7vfb+OR+7kr0+OR+5re9+OR+7kr1+OR+5re8+OR+7o80+OR+7o81+OR+7m2p+OR+6wjt+OR+7tc4+OR+5re5+OR+5re4+OR+7kph+OR+5re7+OR+5re6+OR+7ca8+OR+6ynq+OR+8ayw+OR+7kqw+OR+5rea+OR+7o7y+OR+7o7z+OR+5rec+OR+6wlc+OR+7cam+OR+5reb+OR+5ree+OR+5red+OR+5reg+OR+5ref+OR+7kqo+OR+7kqp+OR+5rf9+OR+5rf2+OR+5rf1+OR+5rf4+OR+5rf3+OR+6wks+OR+5rf6+OR+7vh8+OR+5rf5+OR+7tbt+OR+5rf8+OR+5rf7+OR+7cb7+OR+7oyg+OR+6wkq+OR+5rf0+OR+5rfb+OR+7krx+OR+5rfa+OR+5rfd+OR+5rfc+OR+5rff+OR+7cbt+OR+5rfe+OR+5rfh+OR+5rfg+OR+5rey+OR+7krp+OR+5rex+OR+7ozu+OR+7krn+OR+5rez+OR+7kro+OR+7k0r+OR+7ozv+OR+5rg3+OR+7k0f+OR+7kri+OR+5rg2+OR+5rep+OR+5res+OR+7te0+OR+5rer+OR+7k0e+OR+5reu+OR+5ret+OR+5rew+OR+5rev+OR+5rei+OR+5reh+OR+5rek+OR+5rej+OR+5rem+OR+5rel+OR+5rg1+OR+5reo+OR+5rg0+OR+5ren+OR+7egq+OR+8dd1+OR+7vic+OR+5rgg+OR+5rgi+OR+5rgh+OR+5rfz+OR+7k1o+OR+5rfy+OR+5rh4+OR+5rfr+OR+5rh3+OR+5rfq+OR+7rb2+OR+5rft+OR+5rh6+OR+5rfs+OR+5rh5+OR+7rb0+OR+5rfv+OR+5rh8+OR+7tdu+OR+5rfu+OR+5rh7+OR+7k1l+OR+5rfx+OR+5rfw+OR+5rh9+OR+5rfj+OR+5rfi+OR+5rfl+OR+5rfk+OR+5rfn+OR+5rh0+OR+5rfm+OR+5rh2+OR+5rfp+OR+5rfo+OR+5rh1+OR+5rhd+OR+5rhc+OR+5rhf+OR+5rhe+OR+6woj+OR+5rgz+OR+7k40+OR+5rhb+OR+5rha+OR+5rgs+OR+7vk6+OR+5rgr+OR+7vk7+OR+7rc0+OR+7vk4+OR+5rgu+OR+7zqv+OR+7vk5+OR+5rgt+OR+5rgw+OR+5rgv+OR+5rgy+OR+7vk8+OR+5rgx+OR+5rgk+OR+5rgj+OR+6wnp+OR+7tek+OR+7teh+OR+5rgm+OR+5rgl+OR+8dd9+OR+5rgo+OR+7vk2+OR+5rgn+OR+7vk3+OR+7vk0+OR+5rgq+OR+7tel+OR+7vk1+OR+5rgp+OR+6y2g+OR+7aap+OR+7eiz+OR+7rbz+OR+7ein+OR+8ddi+OR+6y2e+OR+6y2f+OR+7k3t+OR+8ddm+OR+7rbr+OR+7tfr+OR+7vjy+OR+7m91+OR+7k3n+OR+7vjz+OR+7vjw+OR+7rbs+OR+7m90+OR+7vjx+OR+6wq3+OR+8dcz+OR+6lze+OR+7m8z+OR+7thh+OR+7abu+OR+7kvr+OR+7kx5+OR+7m8x+OR+6wqf+OR+7m8y+OR+6wqd+OR+7kvl+OR+7m8m+OR+7tgr+OR+7re2+OR+7re3+OR+7m8p+OR+7m8n+OR+7m8o+OR+7ti9+OR+6w01+OR+6w02+OR+7re0+OR+7re1+OR+7kxb+OR+6yvf+OR+7rdy+OR+7rdz+OR+6wrh+OR+8dfn+OR+7tia+OR+5rl8+OR+5rl7+OR+8dfe+OR+7k5i+OR+5rl9+OR+6yva+OR+7rdx+OR+5rl0+OR+7zv5+OR+7thm+OR+7vlp+OR+7tj0+OR+5rl2+OR+5rl1+OR+5rl4+OR+5rl3+OR+7zv7+OR+5rl6+OR+7vlq+OR+5rl5+OR+7zv8+OR+7tj2+OR+5rlh+OR+5rlg+OR+5rlj+OR+6ywl+OR+6ywm+OR+5rli+OR+5rll+OR+5rlk+OR+5rln+OR+7adw+OR+5rlm+OR+5rlb+OR+5rld+OR+5rlc+OR+6ywk+OR+7af0+OR+5rlf+OR+5rle+OR+5rm9+OR+7tiv+OR+7tiw+OR+5rm8+OR+7tiu+OR+6wrz+OR+7tiz+OR+7tix+OR+7tiy+OR+7k6d+OR+5rm1+OR+7k6e+OR+5rm0+OR+5rm3+OR+5rm2+OR+5rm5+OR+7z59+OR+8dgb+OR+5rm4+OR+5rm7+OR+5rm6+OR+6wtm+OR+5rmi+OR+6yz1+OR+5rmh+OR+6wtk+OR+5rmk+OR+5rmj+OR+5rmm+OR+6y84+OR+5rml+OR+5rma+OR+7kyu+OR+6wtc+OR+5rmc+OR+5rmb+OR+5rme+OR+6wtj+OR+5rmd+OR+5rmg+OR+5rmf+OR+7rfu+OR+5rlw+OR+7rfs+OR+5rlz+OR+5rly+OR+7aeg+OR+7rfw+OR+7aeh+OR+7k7p+OR+5rlp)+AND+molecule_sequence:%5B''+TO+*%5D+AND+status:REL&sort= diff --git a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt1_resp.txt b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt1_resp.txt index 4884c0c..9bf446c 100644 --- a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt1_resp.txt +++ b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt1_resp.txt @@ -1,9 +1,9 @@ { "responseHeader":{ "status":0, - "QTime":10, + "QTime":4, "params":{ - "q":"(7kr0 OR 5re9 OR 7kr1 OR 5re8 OR 7o80 OR 7o81 OR 7m2p OR 6wjt OR 5re5 OR 5re4 OR 7kph OR 5re7 OR 5re6 OR 7ca8 OR 6ynq OR 7kqw OR 5rea OR 7o7y OR 7o7z OR 5rec OR 6wlc OR 7cam OR 5reb OR 5ree OR 5red OR 5reg OR 5ref OR 7kqo OR 7kqp OR 5rf9 OR 5rf2 OR 5rf1 OR 5rf4 OR 5rf3 OR 6wks OR 5rf6 OR 5rf5 OR 5rf8 OR 5rf7 OR 7cb7 OR 7oyg OR 6wkq OR 5rf0 OR 5rfb OR 7krx OR 5rfa OR 5rfd OR 5rfc OR 5rff OR 7cbt OR 5rfe OR 5rfh OR 5rfg OR 5rey OR 7krp OR 5rex OR 7ozu OR 7krn OR 5rez OR 7kro OR 7k0r OR 7ozv OR 5rg3 OR 7k0f OR 7kri OR 5rg2 OR 5rep OR 5res OR 7te0 OR 5rer OR 7k0e OR 5reu OR 5ret OR 5rew OR 5rev OR 5rei OR 5reh OR 5rek OR 5rej OR 5rem OR 5rel OR 5rg1 OR 5reo OR 5rg0 OR 5ren OR 7egq OR 5rgg OR 5rgi OR 5rgh OR 5rfz OR 7k1o OR 5rfy OR 5rh4 OR 5rfr OR 5rh3 OR 5rfq OR 7rb2 OR 5rft OR 5rh6 OR 5rfs OR 5rh5 OR 7rb0 OR 5rfv OR 5rh8 OR 7tdu OR 5rfu OR 5rh7 OR 7k1l OR 5rfx OR 5rfw OR 5rh9 OR 5rfj OR 5rfi OR 5rfl OR 5rfk OR 5rfn OR 5rh0 OR 5rfm OR 5rh2 OR 5rfp OR 5rfo OR 5rh1 OR 5rhd OR 5rhc OR 5rhf OR 5rhe OR 6woj OR 5rgz OR 7k40 OR 5rhb OR 5rha OR 5rgs OR 5rgr OR 7rc0 OR 5rgu OR 5rgt OR 5rgw OR 5rgv OR 5rgy OR 5rgx OR 5rgk OR 5rgj OR 6wnp OR 7teh OR 5rgm OR 5rgl OR 5rgo OR 5rgn OR 5rgq OR 5rgp OR 6y2g OR 7aap OR 7eiz OR 7rbz OR 7ein OR 6y2e OR 6y2f OR 7k3t OR 7tfr OR 7m91 OR 7k3n OR 7m90 OR 6wq3 OR 6lze OR 7m8z OR 7thh OR 7abu OR 7kvr OR 7kx5 OR 7m8x OR 6wqf OR 7m8y OR 6wqd OR 7kvl OR 7m8m OR 7re2 OR 7re3 OR 7m8p OR 7m8n OR 7m8o OR 7ti9 OR 6w01 OR 6w02 OR 7re0 OR 7re1 OR 7kxb OR 6yvf OR 7rdy OR 7rdz OR 6wrh OR 5rl8 OR 5rl7 OR 7k5i OR 5rl9 OR 6yva OR 7rdx OR 5rl0 OR 7thm OR 5rl2 OR 5rl1 OR 5rl4 OR 5rl3 OR 5rl6 OR 5rl5 OR 7tj2 OR 5rlh OR 5rlg OR 5rlj OR 6ywl OR 6ywm OR 5rli OR 5rll OR 5rlk OR 5rln OR 7adw OR 5rlm OR 5rlb OR 5rld OR 5rlc OR 6ywk OR 7af0 OR 5rlf OR 5rle OR 5rm9 OR 5rm8 OR 6wrz OR 7k6d OR 5rm1 OR 7k6e OR 5rm0 OR 5rm3 OR 5rm2 OR 5rm5 OR 5rm4 OR 5rm7 OR 5rm6 OR 6wtm OR 5rmi OR 6yz1 OR 5rmh OR 6wtk OR 5rmk OR 5rmj OR 5rmm OR 6y84 OR 5rml OR 5rma OR 7kyu OR 6wtc OR 5rmc OR 5rmb OR 5rme OR 6wtj OR 5rmd OR 5rmg OR 5rmf OR 7rfu OR 5rlw OR 7rfs OR 5rlz OR 5rly OR 7aeg OR 7rfw OR 7aeh OR 7k7p OR 5rlp OR 5rlo OR 5rlr OR 5rlq OR 5rlt OR 7rfr OR 5rls OR 5rlv OR 5rlu OR 6yyt OR 7cjm OR 6wtt OR 7cjd OR 6wvn OR 6w63 OR 6w61 OR 6wx4 OR 5rob OR 7eq4 OR 6w4h OR 7k9p OR 6w4b OR 6wuu OR 7aga OR 6w75 OR 7aha OR 7ak4 OR 7e19 OR 7e18 OR 7nbs OR 7nbt OR 7nby OR 6wxc OR 6wxd OR 7cmd OR 7nbr OR 5rt0 OR 5rt2 OR 5rt1 OR 5rt4 OR 7rn1 OR 5rt3 OR 5rt6 OR 5rt5 OR 7rn0 OR 5rs7 OR 7tq6 OR 5rs9 OR 7rm2) AND molecule_sequence:['' TO *] AND status:REL", + "q":"(7vfa OR 7vfb OR 7kr0 OR 5re9 OR 7kr1 OR 5re8 OR 7o80 OR 7o81 OR 7m2p OR 6wjt OR 7tc4 OR 5re5 OR 5re4 OR 7kph OR 5re7 OR 5re6 OR 7ca8 OR 6ynq OR 8ayw OR 7kqw OR 5rea OR 7o7y OR 7o7z OR 5rec OR 6wlc OR 7cam OR 5reb OR 5ree OR 5red OR 5reg OR 5ref OR 7kqo OR 7kqp OR 5rf9 OR 5rf2 OR 5rf1 OR 5rf4 OR 5rf3 OR 6wks OR 5rf6 OR 7vh8 OR 5rf5 OR 7tbt OR 5rf8 OR 5rf7 OR 7cb7 OR 7oyg OR 6wkq OR 5rf0 OR 5rfb OR 7krx OR 5rfa OR 5rfd OR 5rfc OR 5rff OR 7cbt OR 5rfe OR 5rfh OR 5rfg OR 5rey OR 7krp OR 5rex OR 7ozu OR 7krn OR 5rez OR 7kro OR 7k0r OR 7ozv OR 5rg3 OR 7k0f OR 7kri OR 5rg2 OR 5rep OR 5res OR 7te0 OR 5rer OR 7k0e OR 5reu OR 5ret OR 5rew OR 5rev OR 5rei OR 5reh OR 5rek OR 5rej OR 5rem OR 5rel OR 5rg1 OR 5reo OR 5rg0 OR 5ren OR 7egq OR 8dd1 OR 7vic OR 5rgg OR 5rgi OR 5rgh OR 5rfz OR 7k1o OR 5rfy OR 5rh4 OR 5rfr OR 5rh3 OR 5rfq OR 7rb2 OR 5rft OR 5rh6 OR 5rfs OR 5rh5 OR 7rb0 OR 5rfv OR 5rh8 OR 7tdu OR 5rfu OR 5rh7 OR 7k1l OR 5rfx OR 5rfw OR 5rh9 OR 5rfj OR 5rfi OR 5rfl OR 5rfk OR 5rfn OR 5rh0 OR 5rfm OR 5rh2 OR 5rfp OR 5rfo OR 5rh1 OR 5rhd OR 5rhc OR 5rhf OR 5rhe OR 6woj OR 5rgz OR 7k40 OR 5rhb OR 5rha OR 5rgs OR 7vk6 OR 5rgr OR 7vk7 OR 7rc0 OR 7vk4 OR 5rgu OR 7zqv OR 7vk5 OR 5rgt OR 5rgw OR 5rgv OR 5rgy OR 7vk8 OR 5rgx OR 5rgk OR 5rgj OR 6wnp OR 7tek OR 7teh OR 5rgm OR 5rgl OR 8dd9 OR 5rgo OR 7vk2 OR 5rgn OR 7vk3 OR 7vk0 OR 5rgq OR 7tel OR 7vk1 OR 5rgp OR 6y2g OR 7aap OR 7eiz OR 7rbz OR 7ein OR 8ddi OR 6y2e OR 6y2f OR 7k3t OR 8ddm OR 7rbr OR 7tfr OR 7vjy OR 7m91 OR 7k3n OR 7vjz OR 7vjw OR 7rbs OR 7m90 OR 7vjx OR 6wq3 OR 8dcz OR 6lze OR 7m8z OR 7thh OR 7abu OR 7kvr OR 7kx5 OR 7m8x OR 6wqf OR 7m8y OR 6wqd OR 7kvl OR 7m8m OR 7tgr OR 7re2 OR 7re3 OR 7m8p OR 7m8n OR 7m8o OR 7ti9 OR 6w01 OR 6w02 OR 7re0 OR 7re1 OR 7kxb OR 6yvf OR 7rdy OR 7rdz OR 6wrh OR 8dfn OR 7tia OR 5rl8 OR 5rl7 OR 8dfe OR 7k5i OR 5rl9 OR 6yva OR 7rdx OR 5rl0 OR 7zv5 OR 7thm OR 7vlp OR 7tj0 OR 5rl2 OR 5rl1 OR 5rl4 OR 5rl3 OR 7zv7 OR 5rl6 OR 7vlq OR 5rl5 OR 7zv8 OR 7tj2 OR 5rlh OR 5rlg OR 5rlj OR 6ywl OR 6ywm OR 5rli OR 5rll OR 5rlk OR 5rln OR 7adw OR 5rlm OR 5rlb OR 5rld OR 5rlc OR 6ywk OR 7af0 OR 5rlf OR 5rle OR 5rm9 OR 7tiv OR 7tiw OR 5rm8 OR 7tiu OR 6wrz OR 7tiz OR 7tix OR 7tiy OR 7k6d OR 5rm1 OR 7k6e OR 5rm0 OR 5rm3 OR 5rm2 OR 5rm5 OR 7z59 OR 8dgb OR 5rm4 OR 5rm7 OR 5rm6 OR 6wtm OR 5rmi OR 6yz1 OR 5rmh OR 6wtk OR 5rmk OR 5rmj OR 5rmm OR 6y84 OR 5rml OR 5rma OR 7kyu OR 6wtc OR 5rmc OR 5rmb OR 5rme OR 6wtj OR 5rmd OR 5rmg OR 5rmf OR 7rfu OR 5rlw OR 7rfs OR 5rlz OR 5rly OR 7aeg OR 7rfw OR 7aeh OR 7k7p OR 5rlp) AND molecule_sequence:['' TO *] AND status:REL", "fl":"pdb_id,title,experimental_method,resolution", "start":"0", "sort":"", @@ -22,6 +22,21 @@ "title":"SARS-CoV-2 endoribonuclease Nsp15 bound to dsRNA"}, { "experimental_method":["X-ray diffraction"], + "pdb_id":"7tbt", + "resolution":2.45, + "title":"Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 13/14"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7vfb", + "resolution":2.0, + "title":"the complex of SARS-CoV2 3cl and NB2B4"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7vfa", + "resolution":1.75, + "title":"the complex of SARS-CoV2 3CL and NB1A2"}, + { + "experimental_method":["X-ray diffraction"], "pdb_id":"7m2p", "resolution":1.7, "title":"Structure of the SARS-CoV-2 3CL protease in complex with inhibitor 18"}, @@ -31,25 +46,60 @@ "resolution":1.7, "title":"SARS-CoV-2 main proteinase complex with microbial metabolite leupeptin"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6yyt", - "resolution":2.9, - "title":"Structure of replicating SARS-CoV-2 polymerase"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7tc4", + "resolution":1.94, + "title":"Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 15/16"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7cam", - "resolution":2.85, - "title":"SARS-CoV-2 main protease (Mpro) apo structure (space group P212121)"}, + "pdb_id":"7zv7", + "resolution":1.336, + "title":"Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 57"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7k3n", - "resolution":1.65, - "title":"Crystal Structure of NSP1 from SARS-CoV-2"}, + "pdb_id":"7zv5", + "resolution":1.999, + "title":"Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 4"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7k7p", - "resolution":1.77, - "title":"Structure of SARS-CoV-2 nonstuctural protein 1"}, + "pdb_id":"7rbr", + "resolution":1.88, + "title":"The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with a Lys48-linked di-ubiquitin"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7ozu", + "resolution":3.3, + "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with A"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7ozu", + "resolution":3.3, + "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with A"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7ozv", + "resolution":3.2, + "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7ozv", + "resolution":3.2, + "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7zv8", + "resolution":1.937, + "title":"Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 58"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7oyg", + "resolution":5.5, + "title":"Dimeric form of SARS-CoV-2 RNA-dependent RNA polymerase"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7oyg", + "resolution":5.5, + "title":"Dimeric form of SARS-CoV-2 RNA-dependent RNA polymerase"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7rb2", @@ -62,79 +112,114 @@ "title":"Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 7.5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6w4b", - "resolution":2.95, - "title":"The crystal structure of Nsp9 RNA binding protein of SARS CoV-2"}, + "pdb_id":"7k3n", + "resolution":1.65, + "title":"Crystal Structure of NSP1 from SARS-CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wqf", - "resolution":2.3, - "title":"Structural Plasticity of the SARS-CoV-2 3CL Mpro Active Site Cavity Revealed by Room Temperature X-ray Crystallography"}, + "pdb_id":"7k7p", + "resolution":1.77, + "title":"Structure of SARS-CoV-2 nonstuctural protein 1"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7ca8", - "resolution":2.45, - "title":"The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin"}, + "pdb_id":"7cam", + "resolution":2.85, + "title":"SARS-CoV-2 main protease (Mpro) apo structure (space group P212121)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wxd", - "resolution":2.0, - "title":"SARS-CoV-2 Nsp9 RNA-replicase"}, + "pdb_id":"7tek", + "resolution":2.2, + "title":"SARS-CoV-2 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-N-(3-chlorobenzyl)-2-(pyridin-3-yl)acetamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7tfr", - "resolution":1.8, - "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2"}, + "pdb_id":"7tel", + "resolution":2.4, + "title":"SARS-CoV-2 3CLPro in complex with N-(4-(1H-imidazol-4-yl)phenyl)-N-(3-chloro-5-fluorobenzyl)-2-(isoquinolin-4-yl)acetamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rt3", - "resolution":1.05, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000039281982"}, + "pdb_id":"7vic", + "resolution":2.1, + "title":"The crystal structure of SARS-CoV-2 3C-like protease in complex with a traditional Chinese Medicine Inhibitors"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m8z", - "resolution":1.79, - "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 29"}, + "pdb_id":"7vk0", + "resolution":2.1, + "title":"Crystal Structure of SARS-CoV-2 Mpro at 2.10 A resolution-6"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7eq4", - "resolution":1.25, - "title":"Crystal Structure of the N-terminus of Nonstructural protein 1 from SARS-CoV-2"}, + "pdb_id":"7vk4", + "resolution":2.1, + "title":"Crystal Structure of SARS-CoV-2 Mpro at 2.10 A resolution-3"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7teh", - "resolution":1.8, - "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2"}, + "pdb_id":"7vjz", + "resolution":1.9, + "title":"Crystal Structure of SARS-CoV-2 Mpro at 1.90 A resolution-7"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m91", - "resolution":1.95, - "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 25"}, + "pdb_id":"7vk3", + "resolution":2.1, + "title":"Crystal Structure of SARS-CoV-2 Mpro at 2.10 A resolution-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m8n", - "resolution":1.96, - "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 16"}, + "pdb_id":"7vk8", + "resolution":2.4, + "title":"Crystal structure of SARS-CoV-2 Mpro at 2.4 A Resolution"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m8x", - "resolution":1.74, - "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 6"}, + "pdb_id":"7vk5", + "resolution":2.17, + "title":"Crystal Structure of SARS-CoV-2 Mpro at 2.10 A resolution-8"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m8p", - "resolution":2.23, - "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 23"}, + "pdb_id":"7vjy", + "resolution":1.9, + "title":"Crystal Structure of Sars-Cov-2 Mpro at 1.90 A resolution-1"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m8o", - "resolution":2.44, - "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 19"}, + "pdb_id":"7vjx", + "resolution":2.2, + "title":"Crystal Structure of SARS-CoV-2 Mpro at 2.20 A resolution-12"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m8m", - "resolution":1.78, - "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 11"}, + "pdb_id":"7vjw", + "resolution":2.2, + "title":"Crystal Structure of SARS-CoV-2 Mpro at 2.20 A resolution-10"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7vk2", + "resolution":2.0, + "title":"Crystal Structure of SARS-CoV-2 Mpro at 2.0 A resolution -9"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7vk6", + "resolution":2.25, + "title":"Crystal Structure of SARS-CoV-2 Mpro at 2.25 A resolution-13"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7vk1", + "resolution":1.93, + "title":"Crystal Structure of SARS-CoV-2 Mpro at 1.93 A resolution-5"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6wqf", + "resolution":2.3, + "title":"Structural Plasticity of the SARS-CoV-2 3CL Mpro Active Site Cavity Revealed by Room Temperature X-ray Crystallography"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7kph", + "resolution":1.46, + "title":"SARS-CoV-2 Main Protease in mature form"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7m8n", + "resolution":1.96, + "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 16"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7m91", + "resolution":1.95, + "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 25"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7m8y", @@ -142,9 +227,9 @@ "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 15"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7te0", - "resolution":2.0, - "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor PF-07321332"}, + "pdb_id":"7m8o", + "resolution":2.44, + "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 19"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7m90", @@ -152,113 +237,123 @@ "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 50"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rs9", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000007636250"}, + "pdb_id":"7m8p", + "resolution":2.23, + "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 23"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rs7", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000034618676"}, + "pdb_id":"7ca8", + "resolution":2.45, + "title":"The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rt4", - "resolution":1.02, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000051581"}, + "pdb_id":"7m8z", + "resolution":1.79, + "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 29"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rt5", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000058111"}, + "pdb_id":"7m8m", + "resolution":1.78, + "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 11"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rt1", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039810"}, + "pdb_id":"7m8x", + "resolution":1.74, + "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 6"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rt0", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714"}, + "pdb_id":"8dgb", + "resolution":2.87, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Q192T Mutant in Complex with Inhibitor GC376"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rt2", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008652361"}, + "pdb_id":"8dfn", + "resolution":2.04, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164N Mutant"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wx4", - "resolution":1.655, - "title":"Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR251"}, + "pdb_id":"7tfr", + "resolution":1.8, + "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wuu", - "resolution":2.79, - "title":"Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR250"}, + "pdb_id":"8dd9", + "resolution":2.04, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant in Complex with Inhibitor GC376"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7oyg", - "resolution":5.5, - "title":"Dimeric form of SARS-CoV-2 RNA-dependent RNA polymerase"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7teh", + "resolution":1.8, + "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7oyg", - "resolution":5.5, - "title":"Dimeric form of SARS-CoV-2 RNA-dependent RNA polymerase"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"8dfe", + "resolution":1.89, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7ozu", - "resolution":3.3, - "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with A"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7te0", + "resolution":2.0, + "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor PF-07321332"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7ozu", - "resolution":3.3, - "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with A"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"8ddi", + "resolution":2.8, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166N Mutant"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7ozv", - "resolution":3.2, - "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G"}, + "pdb_id":"7rdz", + "resolution":3.6, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7ozv", - "resolution":3.2, - "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G"}, + "pdb_id":"7rdz", + "resolution":3.6, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7cmd", - "resolution":2.59, - "title":"Crystal structure of the SARS-CoV-2 PLpro with GRL0617"}, + "pdb_id":"7rbz", + "resolution":1.65, + "title":"X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-017-20"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wtj", - "resolution":1.9, - "title":"Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication"}, + "pdb_id":"7zqv", + "resolution":2.26, + "title":"Structure of the SARS-CoV-2 main protease in complex with AG7404"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6y2e", - "resolution":1.75, - "title":"Crystal structure of the free enzyme of the SARS-CoV-2 (2019-nCoV) main protease"}, + "pdb_id":"7vlq", + "resolution":1.939106, + "title":"Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6woj", - "resolution":2.2, - "title":"Structure of the SARS-CoV-2 macrodomain (NSP3) in complex with ADP-ribose"}, + "pdb_id":"7vlp", + "resolution":1.5025194, + "title":"Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7cbt", - "resolution":2.346, - "title":"The crystal structure of SARS-CoV-2 main protease in complex with GC376"}, + "pdb_id":"7vk7", + "resolution":2.4, + "title":"Crystal Structure of SARS-CoV-2 Mpro at 2.4 A resolution-11"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7cjd", - "resolution":2.501, - "title":"Crystal structure of the SARS-CoV-2 PLpro C111S mutant"}, + "pdb_id":"7kyu", + "resolution":1.48, + "title":"The crystal structure of SARS-CoV-2 Main Protease with the formation of Cys145-1H-indole-5-carboxylate"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wtm", - "resolution":1.85, + "pdb_id":"7k0e", + "resolution":1.9, + "title":"1.90 A resolution structure of SARS-CoV-2 3CL protease in complex with deuterated GC376"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7k1o", + "resolution":2.4, + "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-3',5'-Diphosphate"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6wtj", + "resolution":1.9, "title":"Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication"}, { "experimental_method":["X-ray diffraction"], @@ -267,34 +362,54 @@ "title":"Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7k0e", - "resolution":1.9, - "title":"1.90 A resolution structure of SARS-CoV-2 3CL protease in complex with deuterated GC376"}, + "pdb_id":"6wtm", + "resolution":1.85, + "title":"Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nbs", - "resolution":1.7, - "title":"Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor telaprevir"}, + "pdb_id":"6wnp", + "resolution":1.443, + "title":"X-ray Structure of SARS-CoV-2 main protease bound to Boceprevir at 1.45 A"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nbr", - "resolution":2.4, - "title":"Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor boceprevir"}, + "pdb_id":"6y2e", + "resolution":1.75, + "title":"Crystal structure of the free enzyme of the SARS-CoV-2 (2019-nCoV) main protease"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kri", - "resolution":1.58, - "title":"FR6-bound SARS-CoV-2 Nsp9 RNA-replicase"}, + "pdb_id":"7k0f", + "resolution":1.65, + "title":"1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7e19", - "resolution":2.15, - "title":"Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor SH-5"}, + "pdb_id":"6woj", + "resolution":2.2, + "title":"Structure of the SARS-CoV-2 macrodomain (NSP3) in complex with ADP-ribose"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7rm2", - "resolution":2.0, - "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule-CSR-494190-S1"}, + "pdb_id":"6w02", + "resolution":1.5, + "title":"Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in the complex with ADP ribose"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7kri", + "resolution":1.58, + "title":"FR6-bound SARS-CoV-2 Nsp9 RNA-replicase"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7cbt", + "resolution":2.346, + "title":"The crystal structure of SARS-CoV-2 main protease in complex with GC376"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7cb7", + "resolution":1.69, + "title":"1.7A resolution structure of SARS-CoV-2 main protease (Mpro) in complex with broad-spectrum coronavirus protease inhibitor GC376"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"8dd1", + "resolution":2.03, + "title":"SARS-CoV-2 Main Protease (Mpro) H164N Mutant in Complex with Inhibitor GC376"}, { "experimental_method":["X-ray diffraction", "Neutron Diffraction", @@ -304,184 +419,204 @@ "title":"Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kph", - "resolution":1.46, - "title":"SARS-CoV-2 Main Protease in mature form"}, + "pdb_id":"8ddm", + "resolution":2.78, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166R Mutant in Complex with Inhibitor GC376"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7e18", - "resolution":1.65, - "title":"Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor YH-53"}, + "pdb_id":"8dcz", + "resolution":2.38, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (Mpro) M165Y Mutant in Complex with Nirmatrelvir"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7rbz", - "resolution":1.65, - "title":"X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-017-20"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7re2", + "resolution":3.17, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7kyu", - "resolution":1.48, - "title":"The crystal structure of SARS-CoV-2 Main Protease with the formation of Cys145-1H-indole-5-carboxylate"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7re2", + "resolution":3.17, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7tq6", - "resolution":1.55, - "title":"Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 14c"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7rdy", + "resolution":3.1, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7cb7", - "resolution":1.69, - "title":"1.7A resolution structure of SARS-CoV-2 main protease (Mpro) in complex with broad-spectrum coronavirus protease inhibitor GC376"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7rdy", + "resolution":3.1, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7cjm", - "resolution":3.2, - "title":"SARS CoV-2 PLpro in complex with GRL0617"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7re3", + "resolution":3.33, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC dimer"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6wnp", - "resolution":1.443, - "title":"X-ray Structure of SARS-CoV-2 main protease bound to Boceprevir at 1.45 A"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7re3", + "resolution":3.33, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC dimer"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6w02", - "resolution":1.5, - "title":"Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in the complex with ADP ribose"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7re0", + "resolution":3.5, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6w63", - "resolution":2.1, - "title":"Structure of COVID-19 main protease bound to potent broad-spectrum non-covalent inhibitor X77"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7re0", + "resolution":3.5, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7kxb", - "resolution":1.55, - "title":"Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7re1", + "resolution":2.91, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC (composite)"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7k1o", - "resolution":2.4, - "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-3',5'-Diphosphate"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7re1", + "resolution":2.91, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC (composite)"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7rn0", - "resolution":2.25, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-57-3R"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7rdx", + "resolution":3.1, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7rn1", - "resolution":2.3, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-62-2R"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7rdx", + "resolution":3.1, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7rc0", - "resolution":1.65, - "title":"X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-091-20"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7krp", + "resolution":3.2, + "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - BTC (local refinement)"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7krp", + "resolution":3.2, + "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - BTC (local refinement)"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7aap", + "resolution":2.5, + "title":"Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7aap", + "resolution":2.5, + "title":"Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7rfu", "resolution":2.498, "title":"Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7k0r", - "resolution":3.3, - "title":"Nucleotide bound SARS-CoV-2 Nsp15"}, - { "experimental_method":["X-ray diffraction"], - "pdb_id":"7k0f", + "pdb_id":"7rc0", "resolution":1.65, - "title":"1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5)"}, + "title":"X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-091-20"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7rfr", - "resolution":1.626, - "title":"Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor"}, + "pdb_id":"7kqo", + "resolution":0.85, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain (P43 crystal form)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rt6", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156509"}, + "pdb_id":"7kx5", + "resolution":2.6, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rm3", - "resolution":2.09, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1745658474"}, + "pdb_id":"7kxb", + "resolution":1.55, + "title":"Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rm2", - "resolution":1.82, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1741964527"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7k0r", + "resolution":3.3, + "title":"Nucleotide bound SARS-CoV-2 Nsp15"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6y84", - "resolution":1.39, - "title":"SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19)"}, + "pdb_id":"7tiv", + "resolution":2.08, + "title":"Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6ywk", - "resolution":2.2, - "title":"Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with HEPES"}, + "pdb_id":"7tia", + "resolution":1.64, + "title":"Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6ywl", - "resolution":2.5, - "title":"Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with ADP-ribose"}, + "pdb_id":"7tiw", + "resolution":1.68, + "title":"Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB54"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6ywm", - "resolution":2.16, - "title":"Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES"}, + "pdb_id":"7tix", + "resolution":2.0, + "title":"Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB56"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlw", - "resolution":1.97, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z45705015"}, + "pdb_id":"7thh", + "resolution":1.32, + "title":"SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rll", - "resolution":2.08, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z425387594"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7krn", + "resolution":3.4, + "title":"Structure of SARS-CoV-2 backtracked complex bound to nsp13 helicase - nsp13(1)-BTC"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rme", - "resolution":2.23, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z26333434"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7krn", + "resolution":3.4, + "title":"Structure of SARS-CoV-2 backtracked complex bound to nsp13 helicase - nsp13(1)-BTC"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7kro", + "resolution":3.6, + "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7kro", + "resolution":3.6, + "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rm9", - "resolution":2.076, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434942"}, + "pdb_id":"7vfa", + "resolution":1.75, + "title":"the complex of SARS-CoV2 3CL and NB1A2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rmi", - "resolution":2.116, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53860899"}, + "pdb_id":"7vfb", + "resolution":2.0, + "title":"the complex of SARS-CoV2 3cl and NB2B4"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rm6", - "resolution":2.128, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z396380540"}, + "pdb_id":"7aeg", + "resolution":1.7, + "title":"SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rm0", - "resolution":1.909, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1492796719"}, + "pdb_id":"7tbt", + "resolution":2.45, + "title":"Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 13/14"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rmg", - "resolution":2.115, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z285675722"}, + "pdb_id":"7rfs", + "resolution":1.91, + "title":"Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rm7", - "resolution":1.84, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z69118333"}, + "pdb_id":"7vh8", + "resolution":1.59, + "title":"Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6y2f", - "resolution":1.95, - "title":"Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)"}, + "pdb_id":"7rfw", + "resolution":1.729, + "title":"Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7k6d", @@ -494,44 +629,44 @@ "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kr0", - "resolution":0.77, - "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K)"}, + "pdb_id":"7kvr", + "resolution":2.12, + "title":"SARS-CoV-2 Main protease immature form - FMAX Library E09 fragment"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kx5", - "resolution":2.6, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A"}, + "pdb_id":"7k3t", + "resolution":1.2, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7rfs", - "resolution":1.91, - "title":"Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor"}, + "pdb_id":"6w01", + "resolution":1.9, + "title":"The 1.9 A Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with a Citrate"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7thh", - "resolution":1.32, - "title":"SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein"}, + "pdb_id":"6y2f", + "resolution":1.95, + "title":"Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kqo", - "resolution":0.85, - "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain (P43 crystal form)"}, + "pdb_id":"6ywk", + "resolution":2.2, + "title":"Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with HEPES"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7ti9", - "resolution":2.73, - "title":"Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2, form 2"}, + "pdb_id":"6y84", + "resolution":1.39, + "title":"SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7k40", - "resolution":1.35, - "title":"Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution"}, + "pdb_id":"6y2g", + "resolution":2.2, + "title":"Crystal structure (orthorhombic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7k3t", - "resolution":1.2, - "title":"Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate"}, + "pdb_id":"7kvl", + "resolution":2.09, + "title":"SARS-CoV-2 Main protease immature form - FMAX Library E01 fragment"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7kr1", @@ -539,14 +674,19 @@ "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7k9p", - "resolution":2.6, - "title":"Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX."}, + "pdb_id":"7k40", + "resolution":1.35, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nby", - "resolution":1.93, - "title":"Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2."}, + "pdb_id":"6ywl", + "resolution":2.5, + "title":"Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with ADP-ribose"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7kqp", + "resolution":0.88, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form)"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7k6e", @@ -554,89 +694,94 @@ "title":"SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rob", - "resolution":1.87, - "title":"PanDDA analysis group deposition of ground-state model of SARS-CoV-2 helicase"}, + "pdb_id":"7k1l", + "resolution":2.25, + "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-2',3'-Vanadate"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7rfw", - "resolution":1.729, - "title":"Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor"}, + "pdb_id":"7kr0", + "resolution":0.77, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K)"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7krp", - "resolution":3.2, - "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - BTC (local refinement)"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rm3", + "resolution":2.09, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1745658474"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7krp", - "resolution":3.2, - "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - BTC (local refinement)"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rli", + "resolution":2.26, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z45617795"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdz", - "resolution":3.6, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rm7", + "resolution":1.84, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z69118333"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdz", - "resolution":3.6, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rh9", + "resolution":1.91, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4438424255 (Mpro-x2776)"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7re0", - "resolution":3.5, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rlf", + "resolution":2.235, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z235341991"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7re0", - "resolution":3.5, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rl4", + "resolution":1.53, + "title":"PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-3 (Mpro-x3124)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgx", - "resolution":1.69, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1344037997 (Mpro-x2572)"}, + "pdb_id":"5rh0", + "resolution":1.916, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1286870272 (Mpro-x2608)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rld", - "resolution":2.233, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z19735981"}, + "pdb_id":"5rm6", + "resolution":2.128, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z396380540"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rll", + "resolution":2.08, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z425387594"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rls", - "resolution":2.278, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z59181945"}, + "pdb_id":"5rm0", + "resolution":1.909, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1492796719"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlq", - "resolution":2.225, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z285782452"}, + "pdb_id":"5rm5", + "resolution":2.06, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z373768900"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rma", - "resolution":1.89, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z321318226"}, + "pdb_id":"5rm8", + "resolution":2.143, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1614545742"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rm1", - "resolution":1.896, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z426041412"}, + "pdb_id":"5rh2", + "resolution":1.827, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1129289650 (Mpro-x2646)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6y2g", - "resolution":2.2, - "title":"Crystal structure (orthorhombic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)"}, + "pdb_id":"5rld", + "resolution":2.233, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z19735981"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rh4", - "resolution":1.34, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1530425063 (Mpro-x2659)"}, + "pdb_id":"5rmi", + "resolution":2.116, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53860899"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rmk", - "resolution":2.08, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1273312153"}, + "pdb_id":"5rgv", + "resolution":1.82, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622066 (Mpro-x2563)"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rl8", @@ -644,29 +789,39 @@ "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53825177"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rml", - "resolution":2.43, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z85956652"}, + "pdb_id":"5rlc", + "resolution":1.92, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z56923284"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wxc", - "resolution":1.85, - "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil"}, + "pdb_id":"5rh3", + "resolution":1.69, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1264525706 (Mpro-x2649)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgw", - "resolution":1.43, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444621910 (Mpro-x2569)"}, + "pdb_id":"5rh4", + "resolution":1.34, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1530425063 (Mpro-x2659)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rle", - "resolution":2.268, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1429867185"}, + "pdb_id":"5rlk", + "resolution":1.956, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1509882419"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rl6", - "resolution":1.921, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z198195770"}, + "pdb_id":"5rgz", + "resolution":1.52, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1343543528 (Mpro-x2600)"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rlg", + "resolution":1.96, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z19739650"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rgt", + "resolution":2.22, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011607 (Mpro-x2540)"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rlz", @@ -674,14 +829,19 @@ "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2293643386"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rl1", - "resolution":1.65, - "title":"PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-27 (Mpro-x3113)"}, + "pdb_id":"5rle", + "resolution":2.268, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1429867185"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rh9", - "resolution":1.91, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4438424255 (Mpro-x2776)"}, + "pdb_id":"5rlj", + "resolution":1.879, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1407673036"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rh8", + "resolution":1.81, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444621965 (Mpro-x2764)"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rl5", @@ -689,19 +849,14 @@ "title":"PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-30 (Mpro-x3359)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rmc", - "resolution":2.15, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z24758179"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6lze", - "resolution":1.505, - "title":"The crystal structure of COVID-19 main protease in complex with an inhibitor 11a"}, + "pdb_id":"5rlp", + "resolution":2.562, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z166605480"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rl7", - "resolution":1.89, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z364321922"}, + "pdb_id":"5rh7", + "resolution":1.71, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011584 (Mpro-x2705)"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rl9", @@ -709,89 +864,44 @@ "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1703168683"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rm5", - "resolution":2.06, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z373768900"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgy", - "resolution":1.976, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1535580916 (Mpro-x2581)"}, - { - "experimental_method":["X-ray diffraction"], "pdb_id":"5rlm", "resolution":1.858, "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1650168321"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlp", - "resolution":2.562, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z166605480"}, + "pdb_id":"5rmb", + "resolution":2.206, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434920"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rha", - "resolution":1.51, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z147647874 (Mpro-x2779)"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rl2", - "resolution":1.48, - "title":"PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-26 (Mpro-x3115)"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rl4", - "resolution":1.53, - "title":"PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-3 (Mpro-x3124)"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlu", - "resolution":2.347, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z744754722"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlk", - "resolution":1.956, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1509882419"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rl3", - "resolution":1.51, - "title":"PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-39 (Mpro-x3117)"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rh3", + "pdb_id":"5rgx", "resolution":1.69, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1264525706 (Mpro-x2649)"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rly", - "resolution":2.434, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2027049478"}, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1344037997 (Mpro-x2572)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlj", - "resolution":1.879, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1407673036"}, + "pdb_id":"5rlw", + "resolution":1.97, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z45705015"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rmd", - "resolution":1.92, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z57614330"}, + "pdb_id":"5rl1", + "resolution":1.65, + "title":"PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-27 (Mpro-x3113)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rh1", - "resolution":1.96, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2010253653 (Mpro-x2643)"}, + "pdb_id":"5rh5", + "resolution":1.72, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011520 (Mpro-x2694)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgv", - "resolution":1.82, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622066 (Mpro-x2563)"}, + "pdb_id":"5rl6", + "resolution":1.921, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z198195770"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rmf", - "resolution":2.23, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z54226006"}, + "pdb_id":"5rgu", + "resolution":2.108, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622180 (Mpro-x2562)"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rlh", @@ -799,14 +909,14 @@ "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434778"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rh5", - "resolution":1.72, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011520 (Mpro-x2694)"}, + "pdb_id":"5rl2", + "resolution":1.48, + "title":"PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-26 (Mpro-x3115)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rh6", - "resolution":1.6, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011588 (Mpro-x2703)"}, + "pdb_id":"5rma", + "resolution":1.89, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z321318226"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rmm", @@ -814,239 +924,179 @@ "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with POB0066"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgz", - "resolution":1.52, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1343543528 (Mpro-x2600)"}, + "pdb_id":"5rln", + "resolution":2.147, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z364328788"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlg", - "resolution":1.96, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z19739650"}, + "pdb_id":"5rmg", + "resolution":2.115, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z285675722"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlv", - "resolution":2.21, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2467208649"}, + "pdb_id":"5rm4", + "resolution":2.96, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1639162606"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rmj", - "resolution":2.1, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z68299550"}, + "pdb_id":"5rm9", + "resolution":2.076, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434942"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlr", - "resolution":2.32, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z822382694"}, + "pdb_id":"5rh6", + "resolution":1.6, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011588 (Mpro-x2703)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgu", - "resolution":2.108, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622180 (Mpro-x2562)"}, + "pdb_id":"5rlb", + "resolution":1.98, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z216450634"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rl0", - "resolution":1.69, - "title":"PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-2 (Mpro-x3110)"}, + "pdb_id":"5rmf", + "resolution":2.23, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z54226006"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlc", - "resolution":1.92, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z56923284"}, + "pdb_id":"5rha", + "resolution":1.51, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z147647874 (Mpro-x2779)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rli", - "resolution":2.26, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z45617795"}, + "pdb_id":"5rly", + "resolution":2.434, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2027049478"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rmb", - "resolution":2.206, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434920"}, + "pdb_id":"5rml", + "resolution":2.43, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z85956652"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rm4", - "resolution":2.96, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1639162606"}, + "pdb_id":"5rgw", + "resolution":1.43, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444621910 (Mpro-x2569)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rmh", - "resolution":2.021, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1101755952"}, + "pdb_id":"5rm1", + "resolution":1.896, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z426041412"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rh0", - "resolution":1.916, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1286870272 (Mpro-x2608)"}, + "pdb_id":"5rmk", + "resolution":2.08, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1273312153"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rh2", - "resolution":1.827, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1129289650 (Mpro-x2646)"}, + "pdb_id":"5rgy", + "resolution":1.976, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1535580916 (Mpro-x2581)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlb", - "resolution":1.98, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z216450634"}, + "pdb_id":"5rl3", + "resolution":1.51, + "title":"PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-39 (Mpro-x3117)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rh7", - "resolution":1.71, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011584 (Mpro-x2705)"}, + "pdb_id":"5rh1", + "resolution":1.96, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2010253653 (Mpro-x2643)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlo", - "resolution":2.097, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1454310449"}, + "pdb_id":"5rl7", + "resolution":1.89, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z364321922"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlf", - "resolution":2.235, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z235341991"}, + "pdb_id":"5rmj", + "resolution":2.1, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z68299550"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgt", - "resolution":2.22, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011607 (Mpro-x2540)"}, + "pdb_id":"5rm2", + "resolution":1.82, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1741964527"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rm8", - "resolution":2.143, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1614545742"}, + "pdb_id":"5rmd", + "resolution":1.92, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z57614330"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rh8", - "resolution":1.81, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444621965 (Mpro-x2764)"}, + "pdb_id":"5rl0", + "resolution":1.69, + "title":"PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-2 (Mpro-x3110)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rln", - "resolution":2.147, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z364328788"}, + "pdb_id":"5rmc", + "resolution":2.15, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z24758179"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6w01", - "resolution":1.9, - "title":"The 1.9 A Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with a Citrate"}, + "pdb_id":"5rmh", + "resolution":2.021, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1101755952"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rlt", - "resolution":2.43, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53116498"}, + "pdb_id":"5rme", + "resolution":2.23, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z26333434"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nbt", - "resolution":1.63, - "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 21"}, + "pdb_id":"6lze", + "resolution":1.505, + "title":"The crystal structure of COVID-19 main protease in complex with an inhibitor 11a"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kvr", - "resolution":2.12, - "title":"SARS-CoV-2 Main protease immature form - FMAX Library E09 fragment"}, + "pdb_id":"6ywm", + "resolution":2.16, + "title":"Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7k1l", - "resolution":2.25, - "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-2',3'-Vanadate"}, + "pdb_id":"7tj0", + "resolution":2.17, + "title":"Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kvl", - "resolution":2.09, - "title":"SARS-CoV-2 Main protease immature form - FMAX Library E01 fragment"}, + "pdb_id":"7tiu", + "resolution":1.65, + "title":"Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7krx", - "resolution":2.72, - "title":"The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder441 inhibitor"}, + "pdb_id":"7tiz", + "resolution":1.55, + "title":"Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kqp", - "resolution":0.88, - "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form)"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7aap", - "resolution":2.5, - "title":"Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7aap", - "resolution":2.5, - "title":"Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP"}, + "pdb_id":"8ayw", + "resolution":1.1, + "title":"SARS-CoV-2 non-structural protein-1 (nsp1) in complex with (S)-1-(4-chlorophenyl)ethan-1-amine"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7aeg", - "resolution":1.7, - "title":"SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7re3", - "resolution":3.33, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC dimer"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7re3", - "resolution":3.33, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC dimer"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7re1", - "resolution":2.91, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC (composite)"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7re1", - "resolution":2.91, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC (composite)"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdx", - "resolution":3.1, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdx", - "resolution":3.1, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdy", - "resolution":3.1, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdy", - "resolution":3.1, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7re2", - "resolution":3.17, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7re2", - "resolution":3.17, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC"}, + "pdb_id":"7ti9", + "resolution":2.73, + "title":"Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2, form 2"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7krn", - "resolution":3.4, - "title":"Structure of SARS-CoV-2 backtracked complex bound to nsp13 helicase - nsp13(1)-BTC"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7tiy", + "resolution":1.79, + "title":"Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-48"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7krn", - "resolution":3.4, - "title":"Structure of SARS-CoV-2 backtracked complex bound to nsp13 helicase - nsp13(1)-BTC"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7rbs", + "resolution":2.98, + "title":"The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with human ISG15"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7kro", - "resolution":3.6, - "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"6yva", + "resolution":3.18, + "title":"PLpro-C111S with mISG15"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7kro", - "resolution":3.6, - "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC"}, + "pdb_id":"7tj2", + "resolution":3.2, + "title":"SARS-CoV-2 endoribonuclease Nsp15 bound to dsRNA"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6wqd", @@ -1059,49 +1109,39 @@ "title":"The 1.95 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS-CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6yva", - "resolution":3.18, - "title":"PLpro-C111S with mISG15"}, + "pdb_id":"7tc4", + "resolution":1.94, + "title":"Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 15/16"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m2p", - "resolution":1.7, - "title":"Structure of the SARS-CoV-2 3CL protease in complex with inhibitor 18"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7tj2", - "resolution":3.2, - "title":"SARS-CoV-2 endoribonuclease Nsp15 bound to dsRNA"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6wlc", - "resolution":1.82, - "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-5'-Monophosphate"}, + "pdb_id":"7z59", + "resolution":2.0, + "title":"SARS-CoV-2 main protease (Mpro) covalently modified with a penicillin derivative"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rex", - "resolution":2.07, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102287"}, + "pdb_id":"7krx", + "resolution":2.72, + "title":"The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder441 inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfs", - "resolution":1.7, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102739"}, + "pdb_id":"5rew", + "resolution":1.55, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102275"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rf0", - "resolution":1.65, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with POB0073"}, + "pdb_id":"5reg", + "resolution":1.67, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1545313172"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rhc", - "resolution":1.58, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib053 (Mpro-x2119)"}, + "pdb_id":"5rhf", + "resolution":1.76, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-34 (Mpro-x2754)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rf1", - "resolution":1.73, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00023830"}, + "pdb_id":"5ren", + "resolution":2.15, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102425"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rgp", @@ -1109,9 +1149,24 @@ "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102628 (Mpro-x0771)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfa", - "resolution":1.52, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2643472210"}, + "pdb_id":"5reo", + "resolution":1.88, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102578"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rf7", + "resolution":1.54, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z316425948_minor"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5re9", + "resolution":1.72, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434836"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rft", + "resolution":1.58, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102432"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rf4", @@ -1119,59 +1174,64 @@ "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741982125"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgl", - "resolution":1.76, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102962 (Mpro-x0705)"}, + "pdb_id":"5ret", + "resolution":1.68, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102269"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rf5", - "resolution":1.74, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z3241250482"}, + "pdb_id":"5rfy", + "resolution":1.9, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102974"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rek", - "resolution":1.74, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102327"}, + "pdb_id":"5rey", + "resolution":1.96, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102911"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfj", - "resolution":1.8, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103067"}, + "pdb_id":"5rfm", + "resolution":2.06, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102539"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rhf", - "resolution":1.76, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-34 (Mpro-x2754)"}, + "pdb_id":"5rfx", + "resolution":1.55, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102254"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rej", - "resolution":1.72, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102241"}, + "pdb_id":"5rfh", + "resolution":1.58, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102277"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgs", - "resolution":1.72, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1259086950 (Mpro-x1163)"}, + "pdb_id":"5rfb", + "resolution":1.48, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1271660837"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rf9", - "resolution":1.43, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z217038356"}, + "pdb_id":"5re8", + "resolution":1.81, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2737076969"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ree", - "resolution":1.77, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2217052426"}, + "pdb_id":"5rhd", + "resolution":1.57, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with SF013 (Mpro-x2193)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgh", - "resolution":1.7, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1619978933 (Mpro-x0395)"}, + "pdb_id":"5rgl", + "resolution":1.76, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102962 (Mpro-x0705)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wrh", - "resolution":1.6, - "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant"}, + "pdb_id":"5rfg", + "resolution":2.32, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102372"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rfc", + "resolution":1.4, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z979145504"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5re4", @@ -1179,69 +1239,69 @@ "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1129283193"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rew", - "resolution":1.55, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102275"}, + "pdb_id":"5rgr", + "resolution":1.41, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z328695024 (Mpro-x1101)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rez", - "resolution":1.79, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with POB0129"}, + "pdb_id":"5rfs", + "resolution":1.7, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102739"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rhb", - "resolution":1.43, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib030 (Mpro-x2097)"}, + "pdb_id":"5rem", + "resolution":1.96, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103016"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfh", - "resolution":1.58, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102277"}, + "pdb_id":"5rgk", + "resolution":1.43, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1310876699 (Mpro-x0426)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfl", - "resolution":1.64, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102389"}, + "pdb_id":"5rgs", + "resolution":1.72, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1259086950 (Mpro-x1163)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfy", - "resolution":1.9, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102974"}, + "pdb_id":"5rf1", + "resolution":1.73, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00023830"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rec", - "resolution":1.73, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1587220559"}, + "pdb_id":"5rgm", + "resolution":2.04, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102142 (Mpro-x0708)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rg1", - "resolution":1.65, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00024905"}, + "pdb_id":"5rgh", + "resolution":1.7, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1619978933 (Mpro-x0395)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rey", - "resolution":1.96, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102911"}, + "pdb_id":"5rea", + "resolution":1.63, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z31432226"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfw", - "resolution":1.43, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102243"}, + "pdb_id":"5ref", + "resolution":1.61, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z24758179"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5re9", + "pdb_id":"5rg0", "resolution":1.72, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434836"}, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102535"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgi", - "resolution":1.57, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z369936976 (Mpro-x0397)"}, + "pdb_id":"5red", + "resolution":1.47, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434865"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rft", - "resolution":1.58, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102432"}, + "pdb_id":"5rhb", + "resolution":1.43, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib030 (Mpro-x2097)"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5re5", @@ -1249,184 +1309,169 @@ "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z33545544"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rf7", - "resolution":1.54, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z316425948_minor"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rhd", - "resolution":1.57, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with SF013 (Mpro-x2193)"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5reg", - "resolution":1.67, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1545313172"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rem", - "resolution":1.96, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103016"}, + "pdb_id":"5rfj", + "resolution":1.8, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103067"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgm", - "resolution":2.04, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102142 (Mpro-x0708)"}, + "pdb_id":"5rev", + "resolution":1.6, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103072"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfo", - "resolution":1.83, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102972"}, + "pdb_id":"5rfp", + "resolution":2.03, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102190"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5red", - "resolution":1.47, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434865"}, + "pdb_id":"5res", + "resolution":1.65, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102281"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgk", - "resolution":1.43, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1310876699 (Mpro-x0426)"}, + "pdb_id":"5reb", + "resolution":1.68, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434899"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5re6", - "resolution":1.87, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z54571979"}, + "pdb_id":"5rgj", + "resolution":1.34, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1401276297 (Mpro-x0425)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfu", - "resolution":1.53, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102121"}, + "pdb_id":"5rek", + "resolution":1.74, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102327"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5re8", - "resolution":1.81, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2737076969"}, + "pdb_id":"5rfa", + "resolution":1.52, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2643472210"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rg0", + "pdb_id":"5rej", "resolution":1.72, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102535"}, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102241"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rea", + "pdb_id":"5rg2", "resolution":1.63, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z31432226"}, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025058"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgq", - "resolution":2.15, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686 (Mpro-x1086)"}, + "pdb_id":"5rf3", + "resolution":1.5, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741970824"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfc", - "resolution":1.4, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z979145504"}, + "pdb_id":"5re6", + "resolution":1.87, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z54571979"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfg", - "resolution":2.32, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102372"}, + "pdb_id":"5rfe", + "resolution":1.46, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z509756472"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgr", - "resolution":1.41, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z328695024 (Mpro-x1101)"}, + "pdb_id":"5rfi", + "resolution":1.69, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102353"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rf2", - "resolution":1.53, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741969146"}, + "pdb_id":"5rei", + "resolution":1.82, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434856"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfz", - "resolution":1.68, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102274"}, + "pdb_id":"5rgn", + "resolution":1.86, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102759 (Mpro-x0731)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rer", - "resolution":1.88, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102615"}, + "pdb_id":"5rfq", + "resolution":1.76, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102179"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rf8", - "resolution":1.44, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z271004858"}, + "pdb_id":"5rep", + "resolution":1.81, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102201"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfm", - "resolution":2.06, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102539"}, + "pdb_id":"5rgq", + "resolution":2.15, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686 (Mpro-x1086)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rhe", - "resolution":1.56, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-42 (Mpro-x2052)"}, + "pdb_id":"5rf5", + "resolution":1.74, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z3241250482"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5reo", - "resolution":1.88, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102578"}, + "pdb_id":"5rgi", + "resolution":1.57, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z369936976 (Mpro-x0397)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5reu", - "resolution":1.69, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102395"}, + "pdb_id":"5rg3", + "resolution":1.58, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025412"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgo", - "resolution":1.74, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102248 (Mpro-x0736)"}, + "pdb_id":"5rfn", + "resolution":1.8, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102868"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfr", - "resolution":1.71, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102169"}, + "pdb_id":"5rf0", + "resolution":1.65, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with POB0073"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rep", - "resolution":1.81, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102201"}, + "pdb_id":"5rhc", + "resolution":1.58, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib053 (Mpro-x2119)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfe", - "resolution":1.46, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z509756472"}, + "pdb_id":"5rfd", + "resolution":1.41, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z126932614"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rev", - "resolution":1.6, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103072"}, + "pdb_id":"5rg1", + "resolution":1.65, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00024905"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5reb", - "resolution":1.68, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434899"}, + "pdb_id":"5rf2", + "resolution":1.53, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741969146"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfd", - "resolution":1.41, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z126932614"}, + "pdb_id":"5rgg", + "resolution":2.26, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434890 (Mpro-x0165)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rg2", - "resolution":1.63, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025058"}, + "pdb_id":"5rec", + "resolution":1.73, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1587220559"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfi", - "resolution":1.69, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102353"}, + "pdb_id":"5rgo", + "resolution":1.74, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102248 (Mpro-x0736)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5reh", - "resolution":1.8, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z111507846"}, + "pdb_id":"5rf9", + "resolution":1.43, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z217038356"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ren", - "resolution":2.15, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102425"}, + "pdb_id":"5reu", + "resolution":1.69, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102395"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rf6", @@ -1434,54 +1479,39 @@ "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1348371854"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfq", - "resolution":1.76, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102179"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5re7", - "resolution":1.79, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z30932204"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfp", - "resolution":2.03, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102190"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rf3", - "resolution":1.5, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741970824"}, + "pdb_id":"5reh", + "resolution":1.8, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z111507846"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgn", - "resolution":1.86, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102759 (Mpro-x0731)"}, + "pdb_id":"5rex", + "resolution":2.07, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102287"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfn", - "resolution":1.8, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102868"}, + "pdb_id":"5rfz", + "resolution":1.68, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102274"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rei", - "resolution":1.82, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434856"}, + "pdb_id":"5rfw", + "resolution":1.43, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102243"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgg", - "resolution":2.26, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434890 (Mpro-x0165)"}, + "pdb_id":"5rfv", + "resolution":1.48, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102306"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wtt", - "resolution":2.15, - "title":"Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376"}, + "pdb_id":"5rfl", + "resolution":1.64, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102389"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ref", - "resolution":1.61, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z24758179"}, + "pdb_id":"5re7", + "resolution":1.79, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z30932204"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rel", @@ -1489,59 +1519,74 @@ "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102340"}, { "experimental_method":["X-ray diffraction"], + "pdb_id":"5rfu", + "resolution":1.53, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102121"}, + { + "experimental_method":["X-ray diffraction"], "pdb_id":"5rff", "resolution":1.78, "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102704"}, { "experimental_method":["X-ray diffraction"], + "pdb_id":"5ree", + "resolution":1.77, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2217052426"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rfr", + "resolution":1.71, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102169"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rfo", + "resolution":1.83, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102972"}, + { + "experimental_method":["X-ray diffraction"], "pdb_id":"5rfk", "resolution":1.75, "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102575"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ret", - "resolution":1.68, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102269"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rgj", - "resolution":1.34, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1401276297 (Mpro-x0425)"}, + "pdb_id":"5rer", + "resolution":1.88, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102615"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfv", - "resolution":1.48, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102306"}, + "pdb_id":"5rez", + "resolution":1.79, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with POB0129"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfx", - "resolution":1.55, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102254"}, + "pdb_id":"5rhe", + "resolution":1.56, + "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-42 (Mpro-x2052)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rg3", - "resolution":1.58, - "title":"PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025412"}, + "pdb_id":"7tgr", + "resolution":1.68, + "title":"Structure of SARS-CoV-2 main protease in complex with GC376"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5res", - "resolution":1.65, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102281"}, + "pdb_id":"7rbs", + "resolution":2.98, + "title":"The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with human ISG15"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rfb", - "resolution":1.48, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1271660837"}, + "pdb_id":"7zv5", + "resolution":1.999, + "title":"Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 4"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6yva", - "resolution":3.18, - "title":"PLpro-C111S with mISG15"}, + "pdb_id":"7zv7", + "resolution":1.336, + "title":"Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 57"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7ein", - "resolution":1.7, - "title":"SARS-CoV-2 main proteinase complex with microbial metabolite leupeptin"}, + "pdb_id":"7rbr", + "resolution":1.88, + "title":"The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with a Lys48-linked di-ubiquitin"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6wtc", @@ -1554,19 +1599,9 @@ "title":"Crystal Structure of the Second Form of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6w61", - "resolution":2.0, - "title":"Crystal Structure of the methyltransferase-stimulatory factor complex of NSP16 and NSP10 from SARS CoV-2."}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6w61", - "resolution":2.0, - "title":"Crystal Structure of the methyltransferase-stimulatory factor complex of NSP16 and NSP10 from SARS CoV-2."}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6wuu", - "resolution":2.79, - "title":"Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR250"}, + "pdb_id":"6yva", + "resolution":3.18, + "title":"PLpro-C111S with mISG15"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6yz1", @@ -1579,59 +1614,52 @@ "title":"The crystal structure of SARS-CoV-2 nsp10-nsp16 methyltransferase complex with Sinefungin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7aeh", - "resolution":1.3, - "title":"SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6yyt", - "resolution":2.9, - "title":"Structure of replicating SARS-CoV-2 polymerase"}, + "pdb_id":"7ein", + "resolution":1.7, + "title":"SARS-CoV-2 main proteinase complex with microbial metabolite leupeptin"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6yyt", - "resolution":2.9, - "title":"Structure of replicating SARS-CoV-2 polymerase"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7m2p", + "resolution":1.7, + "title":"Structure of the SARS-CoV-2 3CL protease in complex with inhibitor 18"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6yyt", - "resolution":2.9, - "title":"Structure of replicating SARS-CoV-2 polymerase"}, + "pdb_id":"7egq", + "resolution":3.35, + "title":"Co-transcriptional capping machineries in SARS-CoV-2 RTC: Coupling of N7-methyltransferase and 3'-5' exoribonuclease with polymerase reveals mechanisms for capping and proofreading"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7thm", - "resolution":3.18, - "title":"SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9"}, + "pdb_id":"7egq", + "resolution":3.35, + "title":"Co-transcriptional capping machineries in SARS-CoV-2 RTC: Coupling of N7-methyltransferase and 3'-5' exoribonuclease with polymerase reveals mechanisms for capping and proofreading"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7thm", - "resolution":3.18, - "title":"SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9"}, + "pdb_id":"7eiz", + "title":"Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7thm", - "resolution":3.18, - "title":"SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9"}, + "pdb_id":"7eiz", + "title":"Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6w4h", - "resolution":1.8, - "title":"1.80 Angstrom Resolution Crystal Structure of NSP16 - NSP10 Complex from SARS-CoV-2"}, + "pdb_id":"6wrh", + "resolution":1.6, + "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6w4h", - "resolution":1.8, - "title":"1.80 Angstrom Resolution Crystal Structure of NSP16 - NSP10 Complex from SARS-CoV-2"}, + "pdb_id":"6wlc", + "resolution":1.82, + "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-5'-Monophosphate"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6w75", - "resolution":1.951, - "title":"1.95 Angstrom Resolution Crystal Structure of NSP10 - NSP16 Complex from SARS-CoV-2"}, + "pdb_id":"5rf8", + "resolution":1.44, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z271004858"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6w75", - "resolution":1.951, - "title":"1.95 Angstrom Resolution Crystal Structure of NSP10 - NSP16 Complex from SARS-CoV-2"}, + "pdb_id":"7zv8", + "resolution":1.937, + "title":"Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 58"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6wq3", @@ -1649,26 +1677,6 @@ "title":"1.98 Angstrom Resolution Crystal Structure of NSP16-NSP10 Heterodimer from SARS-CoV-2 in Complex with Sinefungin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wkq", - "resolution":1.98, - "title":"1.98 Angstrom Resolution Crystal Structure of NSP16-NSP10 Heterodimer from SARS-CoV-2 in Complex with Sinefungin"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6wvn", - "resolution":2.0, - "title":"Crystal Structure of Nsp16-Nsp10 from SARS-CoV-2 in Complex with 7-methyl-GpppA and S-Adenosylmethionine."}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6wx4", - "resolution":1.655, - "title":"Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR251"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6wks", - "resolution":1.8, - "title":"Structure of SARS-CoV-2 nsp16/nsp10 in complex with RNA cap analogue (m7GpppA) and S-adenosylmethionine"}, - { - "experimental_method":["X-ray diffraction"], "pdb_id":"6wks", "resolution":1.8, "title":"Structure of SARS-CoV-2 nsp16/nsp10 in complex with RNA cap analogue (m7GpppA) and S-adenosylmethionine"}, @@ -1683,23 +1691,25 @@ "resolution":2.0, "title":"2.0 Angstrom Resolution Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 in Complex with S-Adenosyl-L-Homocysteine"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7eiz", - "title":"Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"6wks", + "resolution":1.8, + "title":"Structure of SARS-CoV-2 nsp16/nsp10 in complex with RNA cap analogue (m7GpppA) and S-adenosylmethionine"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7eiz", - "title":"Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading"}, + "pdb_id":"7thm", + "resolution":3.18, + "title":"SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7egq", - "resolution":3.35, - "title":"Co-transcriptional capping machineries in SARS-CoV-2 RTC: Coupling of N7-methyltransferase and 3'-5' exoribonuclease with polymerase reveals mechanisms for capping and proofreading"}, + "pdb_id":"7thm", + "resolution":3.18, + "title":"SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7egq", - "resolution":3.35, - "title":"Co-transcriptional capping machineries in SARS-CoV-2 RTC: Coupling of N7-methyltransferase and 3'-5' exoribonuclease with polymerase reveals mechanisms for capping and proofreading"}, + "pdb_id":"7thm", + "resolution":3.18, + "title":"SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7oyg", @@ -1716,20 +1726,35 @@ "resolution":5.5, "title":"Dimeric form of SARS-CoV-2 RNA-dependent RNA polymerase"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7ak4", - "resolution":1.63, - "title":"Structure of SARS-CoV-2 Main Protease bound to Tretazicar."}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7ozu", + "resolution":3.3, + "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with A"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7ozv", + "resolution":3.2, + "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7ozv", + "resolution":3.2, + "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7thm", + "resolution":3.18, + "title":"SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7abu", "resolution":1.6, "title":"Structure of SARS-CoV-2 Main Protease bound to RS102895"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7thm", - "resolution":3.18, - "title":"SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7aeh", + "resolution":1.3, + "title":"SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7ozu", @@ -1746,10 +1771,10 @@ "resolution":3.2, "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7ozv", - "resolution":3.2, - "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"6wkq", + "resolution":1.98, + "title":"1.98 Angstrom Resolution Crystal Structure of NSP16-NSP10 Heterodimer from SARS-CoV-2 in Complex with Sinefungin"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6wrz", @@ -1761,21 +1786,6 @@ "resolution":2.25, "title":"Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 with 7-methyl-GpppA and S-adenosyl-L-homocysteine in the Active Site and Sulfates in the mRNA Binding Groove."}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6wvn", - "resolution":2.0, - "title":"Crystal Structure of Nsp16-Nsp10 from SARS-CoV-2 in Complex with 7-methyl-GpppA and S-Adenosylmethionine."}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7ozu", - "resolution":3.3, - "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with A"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7ozv", - "resolution":3.2, - "title":"SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G"}, - { "experimental_method":["Electron Microscopy"], "pdb_id":"7krp", "resolution":3.2, @@ -1807,63 +1817,44 @@ "title":"Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdz", - "resolution":3.6, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class"}, + "pdb_id":"7re2", + "resolution":3.17, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdz", - "resolution":3.6, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class"}, + "pdb_id":"7re2", + "resolution":3.17, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdz", - "resolution":3.6, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class"}, + "pdb_id":"7re2", + "resolution":3.17, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7re0", - "resolution":3.5, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class"}, + "pdb_id":"7re2", + "resolution":3.17, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7re0", - "resolution":3.5, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7aeg", - "resolution":1.7, - "title":"SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6ynq", - "resolution":1.8, - "title":"Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone."}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7af0", - "resolution":1.7, - "title":"Structure of SARS-CoV-2 Main Protease bound to Ipidacrine."}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7adw", - "resolution":1.63, - "title":"Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone."}, + "pdb_id":"7rdy", + "resolution":3.1, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7aga", - "resolution":1.68, - "title":"Structure of SARS-CoV-2 Main Protease bound to AT7519"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7rdy", + "resolution":3.1, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7aha", - "resolution":1.68, - "title":"Structure of SARS-CoV-2 Main Protease bound to Maleate."}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7rdy", + "resolution":3.1, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7eiz", - "title":"Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading"}, + "pdb_id":"7rdy", + "resolution":3.1, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7re3", @@ -1886,9 +1877,24 @@ "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC dimer"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdz", - "resolution":3.6, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class"}, + "pdb_id":"7re0", + "resolution":3.5, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7re0", + "resolution":3.5, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7re0", + "resolution":3.5, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7re0", + "resolution":3.5, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7re1", @@ -1911,24 +1917,9 @@ "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC (composite)"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdx", - "resolution":3.1, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdx", - "resolution":3.1, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdx", - "resolution":3.1, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdx", - "resolution":3.1, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class"}, + "pdb_id":"7rdz", + "resolution":3.6, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7krn", @@ -1951,87 +1942,83 @@ "title":"Structure of SARS-CoV-2 backtracked complex bound to nsp13 helicase - nsp13(1)-BTC"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdy", - "resolution":3.1, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdy", - "resolution":3.1, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class"}, + "pdb_id":"7kro", + "resolution":3.6, + "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdy", - "resolution":3.1, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class"}, + "pdb_id":"7kro", + "resolution":3.6, + "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7rdy", - "resolution":3.1, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class"}, + "pdb_id":"7kro", + "resolution":3.6, + "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7re0", - "resolution":3.5, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class"}, + "pdb_id":"7kro", + "resolution":3.6, + "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7re0", - "resolution":3.5, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class"}, + "pdb_id":"7rdz", + "resolution":3.6, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7re2", - "resolution":3.17, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC"}, + "pdb_id":"7rdz", + "resolution":3.6, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7re2", - "resolution":3.17, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC"}, + "pdb_id":"7rdz", + "resolution":3.6, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7re2", - "resolution":3.17, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC"}, + "pdb_id":"7rdx", + "resolution":3.1, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7re2", - "resolution":3.17, - "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC"}, + "pdb_id":"7rdx", + "resolution":3.1, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7kro", - "resolution":3.6, - "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC"}, + "pdb_id":"7rdx", + "resolution":3.1, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7kro", - "resolution":3.6, - "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC"}, + "pdb_id":"7rdx", + "resolution":3.1, + "title":"SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7kro", - "resolution":3.6, - "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC"}, + "pdb_id":"7eiz", + "title":"Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7kro", - "resolution":3.6, - "title":"Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7aeg", + "resolution":1.7, + "title":"SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6yvf", - "resolution":1.6, - "title":"Structure of SARS-CoV-2 Main Protease bound to AZD6482."}, + "pdb_id":"7adw", + "resolution":1.63, + "title":"Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone."}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7eiz", - "title":"Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7af0", + "resolution":1.7, + "title":"Structure of SARS-CoV-2 Main Protease bound to Ipidacrine."}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7eiz", - "title":"Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"6ynq", + "resolution":1.8, + "title":"Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone."}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7egq", @@ -2054,14 +2041,12 @@ "title":"Co-transcriptional capping machineries in SARS-CoV-2 RTC: Coupling of N7-methyltransferase and 3'-5' exoribonuclease with polymerase reveals mechanisms for capping and proofreading"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7egq", - "resolution":3.35, - "title":"Co-transcriptional capping machineries in SARS-CoV-2 RTC: Coupling of N7-methyltransferase and 3'-5' exoribonuclease with polymerase reveals mechanisms for capping and proofreading"}, + "pdb_id":"7eiz", + "title":"Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7egq", - "resolution":3.35, - "title":"Co-transcriptional capping machineries in SARS-CoV-2 RTC: Coupling of N7-methyltransferase and 3'-5' exoribonuclease with polymerase reveals mechanisms for capping and proofreading"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7eiz", + "title":"Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7eiz", @@ -2079,6 +2064,21 @@ "pdb_id":"7eiz", "title":"Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading"}, { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6yvf", + "resolution":1.6, + "title":"Structure of SARS-CoV-2 Main Protease bound to AZD6482."}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7egq", + "resolution":3.35, + "title":"Co-transcriptional capping machineries in SARS-CoV-2 RTC: Coupling of N7-methyltransferase and 3'-5' exoribonuclease with polymerase reveals mechanisms for capping and proofreading"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7egq", + "resolution":3.35, + "title":"Co-transcriptional capping machineries in SARS-CoV-2 RTC: Coupling of N7-methyltransferase and 3'-5' exoribonuclease with polymerase reveals mechanisms for capping and proofreading"}, + { "experimental_method":["Electron Microscopy"], "pdb_id":"7egq", "resolution":3.35, @@ -2145,21 +2145,6 @@ "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o81", - "resolution":3.1, - "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7o81", - "resolution":3.1, - "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7o81", - "resolution":3.1, - "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, - { - "experimental_method":["Electron Microscopy"], "pdb_id":"7k5i", "resolution":2.9, "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, @@ -2190,84 +2175,64 @@ "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7k5i", + "resolution":2.9, + "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7k5i", + "resolution":2.9, + "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7k5i", + "resolution":2.9, + "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7k5i", + "resolution":2.9, + "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7k5i", + "resolution":2.9, + "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7k5i", + "resolution":2.9, + "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7k5i", + "resolution":2.9, + "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7k5i", + "resolution":2.9, + "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7k5i", + "resolution":2.9, + "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7k5i", + "resolution":2.9, + "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7k5i", + "resolution":2.9, + "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7k5i", + "resolution":2.9, + "title":"SARS-COV-2 nsp1 in complex with human 40S ribosome"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7o7z", @@ -2275,19 +2240,19 @@ "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7o7y", + "resolution":2.2, + "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7o7y", + "resolution":2.2, + "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7z", - "resolution":2.4, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, + "pdb_id":"7o7y", + "resolution":2.2, + "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7o7z", @@ -2375,69 +2340,104 @@ "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7y", - "resolution":2.2, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, + "pdb_id":"7o7z", + "resolution":2.4, + "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7y", - "resolution":2.2, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, + "pdb_id":"7o7z", + "resolution":2.4, + "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7y", - "resolution":2.2, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, + "pdb_id":"7o7z", + "resolution":2.4, + "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7y", - "resolution":2.2, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7y", - "resolution":2.2, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7y", - "resolution":2.2, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7y", - "resolution":2.2, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7y", - "resolution":2.2, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7y", - "resolution":2.2, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7y", - "resolution":2.2, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7y", - "resolution":2.2, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7y", - "resolution":2.2, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7o7y", - "resolution":2.2, - "title":"Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (high resolution)"}, + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7o81", + "resolution":3.1, + "title":"Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7o81", diff --git a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt2.txt b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt2.txt index 9ea67db..7935c11 100644 --- a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt2.txt +++ b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt2.txt @@ -1,2 +1 @@ -https://www.ebi.ac.uk/pdbe/search/pdb/select?wt=json&fl=pdb_id,title,experimental_method,resolution&rows=500&start=0&q=(5rs8+OR+7tq5+OR+6w6y+OR+5ru1+OR+5rso+OR+5rsn+OR+5ru0+OR+5rsq+OR+5ru3+OR+5ru2+OR+5rsp+OR+5rss+OR+5ru5+OR+5rsr+OR+5ru4+OR+5rsu+OR+5ru7+OR+6wzu+OR+5rst+OR+5ru6+OR+5rsg+OR+5rsf+OR+7rme+OR+5rsi+OR+7rmb+OR+7e35+OR+5rsh+OR+5rsk+OR+5rsj+OR+5rsm+OR+7aku+OR+5rsl+OR+7lb7+OR+7com+OR+5rsc+OR+5rsb+OR+5rse+OR+5rsd+OR+5rt8+OR+7rls+OR+5rt7+OR+5rt9+OR+7rn4+OR+7nf5+OR+5rtp+OR+5rv2+OR+5rto+OR+5rv1+OR+5rtr+OR+5rv4+OR+7rnk+OR+5rtq+OR+5rv3+OR+6w9q+OR+5rtt+OR+5rv6+OR+5rts+OR+5rv5+OR+5rtv+OR+5rv8+OR+5rtu+OR+5rv7+OR+5rth+OR+5rtg+OR+5rtj+OR+5rti+OR+5rtl+OR+5rtk+OR+5rtn+OR+5rv0+OR+5rtm+OR+7rnh+OR+6w9c+OR+5rtb+OR+7nev+OR+7rmz+OR+5rta+OR+5rtd+OR+5rtc+OR+5rtf+OR+5rte+OR+5rsw+OR+5ru9+OR+7rmt+OR+7tqv+OR+5ru8+OR+5rsv+OR+7ng3+OR+5rsy+OR+5rsx+OR+7neo+OR+7alh+OR+7ng6+OR+5rsz+OR+7ali+OR+5ruq+OR+5rup+OR+5rus+OR+5rur+OR+5ruu+OR+5rut+OR+5ruw+OR+5ruv+OR+5rui+OR+5ruh+OR+5ruk+OR+5ruj+OR+5rum+OR+5rul+OR+5ruo+OR+5run+OR+5rua+OR+5ruc+OR+5rue+OR+5rud+OR+5rug+OR+5ruf+OR+5rtx+OR+5rtw+OR+5rv9+OR+5rtz+OR+5rty+OR+7lbn+OR+7nfv+OR+7amj+OR+7rnw+OR+5rvr+OR+5rvq+OR+7t42+OR+5rvt+OR+5rvs+OR+5rvv+OR+7t45+OR+5rvu+OR+7t46+OR+7t43+OR+7t44+OR+7ldl+OR+5rvj+OR+5rvi+OR+5rvl+OR+7ap6+OR+5rvk+OR+5rvn+OR+5rvm+OR+5rvp+OR+5rvo+OR+5rvb+OR+5rva+OR+5rvd+OR+5rvc+OR+5rvf+OR+5rve+OR+7ans+OR+5rvh+OR+5rvg+OR+5ruy+OR+5rux+OR+5ruz+OR+7lco+OR+7lct+OR+7lcs+OR+6xa9+OR+7nio+OR+7rqg+OR+7e5x+OR+6xa4+OR+6zct+OR+7ldx+OR+7c33+OR+7t49+OR+7t48+OR+7aol+OR+5r84+OR+7tx5+OR+5r83+OR+7tx3+OR+7tx4+OR+7aqe+OR+7lfp+OR+6xb2+OR+7c2y+OR+6xb0+OR+6xb1+OR+7tx1+OR+5r80+OR+5r82+OR+7lfe+OR+7tx0+OR+5r81+OR+7t4a+OR+7t4b+OR+7c2q+OR+7ar6+OR+7ctt+OR+7ar5+OR+7aph+OR+7e6k+OR+7exm+OR+7c2i+OR+7lg2+OR+7lg3+OR+7c2j+OR+7lg7+OR+7c2k+OR+7twt+OR+7twr+OR+7tws+OR+7twx+OR+7arf+OR+7twy+OR+7twv+OR+5r7y+OR+7tww+OR+7lgo+OR+7twj+OR+7twp+OR+7twq+OR+7twn+OR+7two+OR+7cut+OR+7lfz+OR+7twh+OR+7twi+OR+7twf+OR+7cuu+OR+7twg+OR+7aqi+OR+6xaa+OR+7aqj+OR+5r8t+OR+7cwc+OR+7nn0+OR+7lhq+OR+7r2v+OR+7cwb+OR+6xbh+OR+6xbi+OR+7cx9+OR+5r7z+OR+6xbg+OR+7au4+OR+7a1u+OR+6xch+OR+7jfq+OR+7nng+OR+7c6u+OR+7c6s+OR+7cxn+OR+7cxm+OR+6xdh+OR+7cz4+OR+6m03+OR+7t9w+OR+7avd+OR+7lkt+OR+7lku+OR+7lkr+OR+7lks+OR+7c8b+OR+6xez+OR+7lkd+OR+6xg3+OR+7lke+OR+7cyq+OR+7c7p+OR+7n06+OR+5sa4+OR+7jhe+OR+5sa6+OR+5sa5+OR+5sa8+OR+5sa7+OR+5sa9+OR+6xfn+OR+7ax6+OR+7c8t+OR+7c8u+OR+7lkx+OR+7lkv+OR+7lkw+OR+7c8r+OR+7jit+OR+7axm+OR+7jir+OR+5sab+OR+5saa+OR+6m0k+OR+7aww+OR+7lmc+OR+7ay7+OR+7awu+OR+7lmf+OR+6zm7+OR+7lmd+OR+7r7h+OR+7jib+OR+7lme+OR+7llz+OR+7aws+OR+7awr+OR+6zme+OR+7nt3+OR+7nt4+OR+7nt1+OR+7nt2+OR+7n0c+OR+7n0d+OR+6zn5+OR+7faz+OR+7n0b+OR+6xhu+OR+6zlw+OR+5sad)+AND+molecule_sequence:%5B''+TO+*%5D+AND+status:REL&sort= - +https://www.ebi.ac.uk/pdbe/search/pdb/select?wt=json&fl=pdb_id,title,experimental_method,resolution&rows=500&start=0&q=(5rlo+OR+5rlr+OR+5rlq+OR+5rlt+OR+7rfr+OR+5rls+OR+5rlv+OR+5rlu+OR+6yyt+OR+7tll+OR+7cjm+OR+6wtt+OR+7cjd+OR+6wvn+OR+6w63+OR+6w61+OR+6wx4+OR+5rob+OR+7eq4+OR+6w4h+OR+7k9p+OR+6w4b+OR+6wuu+OR+7aga+OR+7pfl+OR+6w75+OR+7aha+OR+7x70+OR+7tq2+OR+7tq3+OR+7ak4+OR+7tob+OR+7e19+OR+7e18+OR+7nbs+OR+7nbt+OR+7nby+OR+6wxc+OR+6wxd+OR+7cmd+OR+7pfm+OR+7nbr+OR+5rt0+OR+5rt2+OR+5rt1+OR+5rt4+OR+7rn1+OR+5rt3+OR+5rt6+OR+5rt5+OR+7rn0+OR+7vth+OR+5rs7+OR+7tq6+OR+7v1t+OR+5rs9+OR+7vu6+OR+7rm2+OR+7tq4+OR+5rs8+OR+7tq5+OR+6w6y+OR+5ru1+OR+5rso+OR+5rsn+OR+5ru0+OR+5rsq+OR+5ru3+OR+5ru2+OR+5rsp+OR+5rss+OR+5ru5+OR+5rsr+OR+5ru4+OR+5rsu+OR+5ru7+OR+6wzu+OR+5rst+OR+5ru6+OR+5rsg+OR+5rsf+OR+7rme+OR+5rsi+OR+7rmb+OR+7e35+OR+5rsh+OR+5rsk+OR+5rsj+OR+5rsm+OR+7aku+OR+5rsl+OR+7lb7+OR+7com+OR+7phz+OR+5rsc+OR+5rsb+OR+5rse+OR+5rsd+OR+5rt8+OR+7rls+OR+5rt7+OR+5rt9+OR+7rn4+OR+7nf5+OR+7x6y+OR+7x6z+OR+5rtp+OR+5rv2+OR+5rto+OR+5rv1+OR+5rtr+OR+5rv4+OR+7rnk+OR+5rtq+OR+5rv3+OR+7vvp+OR+6w9q+OR+5rtt+OR+5rv6+OR+5rts+OR+5rv5+OR+5rtv+OR+5rv8+OR+5rtu+OR+5rv7+OR+7vvt+OR+5rth+OR+5rtg+OR+5rtj+OR+5rti+OR+5rtl+OR+8doy+OR+5rtk+OR+5rtn+OR+5rv0+OR+5rtm+OR+8dox+OR+7rnh+OR+6w9c+OR+5rtb+OR+7nev+OR+7rmz+OR+5rta+OR+5rtd+OR+5rtc+OR+5rtf+OR+5rte+OR+5rsw+OR+5ru9+OR+7rmt+OR+7tqv+OR+5ru8+OR+5rsv+OR+7ng3+OR+5rsy+OR+5rsx+OR+7neo+OR+7alh+OR+7ng6+OR+5rsz+OR+7ali+OR+5ruq+OR+5rup+OR+5rus+OR+5rur+OR+5ruu+OR+5rut+OR+5ruw+OR+5ruv+OR+5rui+OR+5ruh+OR+5ruk+OR+8f46+OR+5ruj+OR+5rum+OR+5rul+OR+5ruo+OR+5run+OR+5rua+OR+5ruc+OR+5rue+OR+8f44+OR+8dpr+OR+5rud+OR+8f45+OR+5rug+OR+5ruf+OR+5rtx+OR+5rtw+OR+5rv9+OR+5rtz+OR+5rty+OR+7lbn+OR+7nfv+OR+7amj+OR+7rnw+OR+5rvr+OR+5rvq+OR+7t42+OR+5rvt+OR+5rvs+OR+5rvv+OR+7t45+OR+5rvu+OR+7t2t+OR+7t46+OR+7t43+OR+7t44+OR+7ldl+OR+5rvj+OR+5rvi+OR+5rvl+OR+7ap6+OR+5rvk+OR+5rvn+OR+5rvm+OR+5rvp+OR+5rvo+OR+5rvb+OR+8ds1+OR+5rva+OR+8ds2+OR+5rvd+OR+5rvc+OR+8ds0+OR+5rvf+OR+5rve+OR+7ans+OR+5rvh+OR+5rvg+OR+5ruy+OR+5rux+OR+7pku+OR+5ruz+OR+7lco+OR+7lct+OR+7lcr+OR+7lcs+OR+6xa9+OR+7nij+OR+7tw8+OR+7tw9+OR+7tw7+OR+7nio+OR+8drx+OR+8dry+OR+8drv+OR+7rqg+OR+7e5x+OR+8drw+OR+8drz+OR+6xa4+OR+6zct+OR+7ldx+OR+8drt+OR+8dru+OR+8drr+OR+7c33+OR+8drs+OR+7t49+OR+7t2u+OR+7t48+OR+7t2v+OR+7aol+OR+5r84+OR+7tvs+OR+7tx5+OR+5r83+OR+7tx3+OR+7tx4+OR+7aqe+OR+7tvx+OR+7lfp+OR+6xb2+OR+7c2y+OR+6xb0+OR+6xb1+OR+7tx1+OR+5r80+OR+5r82+OR+7lfe+OR+7tx0+OR+5r81+OR+7t4a+OR+7t4b+OR+7c2q+OR+7ar6+OR+7ctt+OR+7ar5+OR+7aph+OR+7e6k+OR+7exm+OR+7c2i+OR+7lg2+OR+7lg3+OR+7c2j+OR+7lg7+OR+7c2k+OR+7twt+OR+7twr+OR+7tws+OR+7twx+OR+7arf+OR+7r1t+OR+7twy+OR+7r1u+OR+7twv+OR+5r7y+OR+7tww+OR+7lgo+OR+7twj+OR+7twp+OR+7t70+OR+7twq)+AND+molecule_sequence:%5B''+TO+*%5D+AND+status:REL&sort= diff --git a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt2_resp.txt b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt2_resp.txt index 28da9fd..5a6f576 100644 --- a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt2_resp.txt +++ b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt2_resp.txt @@ -1,25 +1,15 @@ { "responseHeader":{ "status":0, - "QTime":4, + "QTime":5, "params":{ - "q":"(5rs8 OR 7tq5 OR 6w6y OR 5ru1 OR 5rso OR 5rsn OR 5ru0 OR 5rsq OR 5ru3 OR 5ru2 OR 5rsp OR 5rss OR 5ru5 OR 5rsr OR 5ru4 OR 5rsu OR 5ru7 OR 6wzu OR 5rst OR 5ru6 OR 5rsg OR 5rsf OR 7rme OR 5rsi OR 7rmb OR 7e35 OR 5rsh OR 5rsk OR 5rsj OR 5rsm OR 7aku OR 5rsl OR 7lb7 OR 7com OR 5rsc OR 5rsb OR 5rse OR 5rsd OR 5rt8 OR 7rls OR 5rt7 OR 5rt9 OR 7rn4 OR 7nf5 OR 5rtp OR 5rv2 OR 5rto OR 5rv1 OR 5rtr OR 5rv4 OR 7rnk OR 5rtq OR 5rv3 OR 6w9q OR 5rtt OR 5rv6 OR 5rts OR 5rv5 OR 5rtv OR 5rv8 OR 5rtu OR 5rv7 OR 5rth OR 5rtg OR 5rtj OR 5rti OR 5rtl OR 5rtk OR 5rtn OR 5rv0 OR 5rtm OR 7rnh OR 6w9c OR 5rtb OR 7nev OR 7rmz OR 5rta OR 5rtd OR 5rtc OR 5rtf OR 5rte OR 5rsw OR 5ru9 OR 7rmt OR 7tqv OR 5ru8 OR 5rsv OR 7ng3 OR 5rsy OR 5rsx OR 7neo OR 7alh OR 7ng6 OR 5rsz OR 7ali OR 5ruq OR 5rup OR 5rus OR 5rur OR 5ruu OR 5rut OR 5ruw OR 5ruv OR 5rui OR 5ruh OR 5ruk OR 5ruj OR 5rum OR 5rul OR 5ruo OR 5run OR 5rua OR 5ruc OR 5rue OR 5rud OR 5rug OR 5ruf OR 5rtx OR 5rtw OR 5rv9 OR 5rtz OR 5rty OR 7lbn OR 7nfv OR 7amj OR 7rnw OR 5rvr OR 5rvq OR 7t42 OR 5rvt OR 5rvs OR 5rvv OR 7t45 OR 5rvu OR 7t46 OR 7t43 OR 7t44 OR 7ldl OR 5rvj OR 5rvi OR 5rvl OR 7ap6 OR 5rvk OR 5rvn OR 5rvm OR 5rvp OR 5rvo OR 5rvb OR 5rva OR 5rvd OR 5rvc OR 5rvf OR 5rve OR 7ans OR 5rvh OR 5rvg OR 5ruy OR 5rux OR 5ruz OR 7lco OR 7lct OR 7lcs OR 6xa9 OR 7nio OR 7rqg OR 7e5x OR 6xa4 OR 6zct OR 7ldx OR 7c33 OR 7t49 OR 7t48 OR 7aol OR 5r84 OR 7tx5 OR 5r83 OR 7tx3 OR 7tx4 OR 7aqe OR 7lfp OR 6xb2 OR 7c2y OR 6xb0 OR 6xb1 OR 7tx1 OR 5r80 OR 5r82 OR 7lfe OR 7tx0 OR 5r81 OR 7t4a OR 7t4b OR 7c2q OR 7ar6 OR 7ctt OR 7ar5 OR 7aph OR 7e6k OR 7exm OR 7c2i OR 7lg2 OR 7lg3 OR 7c2j OR 7lg7 OR 7c2k OR 7twt OR 7twr OR 7tws OR 7twx OR 7arf OR 7twy OR 7twv OR 5r7y OR 7tww OR 7lgo OR 7twj OR 7twp OR 7twq OR 7twn OR 7two OR 7cut OR 7lfz OR 7twh OR 7twi OR 7twf OR 7cuu OR 7twg OR 7aqi OR 6xaa OR 7aqj OR 5r8t OR 7cwc OR 7nn0 OR 7lhq OR 7r2v OR 7cwb OR 6xbh OR 6xbi OR 7cx9 OR 5r7z OR 6xbg OR 7au4 OR 7a1u OR 6xch OR 7jfq OR 7nng OR 7c6u OR 7c6s OR 7cxn OR 7cxm OR 6xdh OR 7cz4 OR 6m03 OR 7t9w OR 7avd OR 7lkt OR 7lku OR 7lkr OR 7lks OR 7c8b OR 6xez OR 7lkd OR 6xg3 OR 7lke OR 7cyq OR 7c7p OR 7n06 OR 5sa4 OR 7jhe OR 5sa6 OR 5sa5 OR 5sa8 OR 5sa7 OR 5sa9 OR 6xfn OR 7ax6 OR 7c8t OR 7c8u OR 7lkx OR 7lkv OR 7lkw OR 7c8r OR 7jit OR 7axm OR 7jir OR 5sab OR 5saa OR 6m0k OR 7aww OR 7lmc OR 7ay7 OR 7awu OR 7lmf OR 6zm7 OR 7lmd OR 7r7h OR 7jib OR 7lme OR 7llz OR 7aws OR 7awr OR 6zme OR 7nt3 OR 7nt4 OR 7nt1 OR 7nt2 OR 7n0c OR 7n0d OR 6zn5 OR 7faz OR 7n0b OR 6xhu OR 6zlw OR 5sad) AND molecule_sequence:['' TO *] AND status:REL", + "q":"(5rlo OR 5rlr OR 5rlq OR 5rlt OR 7rfr OR 5rls OR 5rlv OR 5rlu OR 6yyt OR 7tll OR 7cjm OR 6wtt OR 7cjd OR 6wvn OR 6w63 OR 6w61 OR 6wx4 OR 5rob OR 7eq4 OR 6w4h OR 7k9p OR 6w4b OR 6wuu OR 7aga OR 7pfl OR 6w75 OR 7aha OR 7x70 OR 7tq2 OR 7tq3 OR 7ak4 OR 7tob OR 7e19 OR 7e18 OR 7nbs OR 7nbt OR 7nby OR 6wxc OR 6wxd OR 7cmd OR 7pfm OR 7nbr OR 5rt0 OR 5rt2 OR 5rt1 OR 5rt4 OR 7rn1 OR 5rt3 OR 5rt6 OR 5rt5 OR 7rn0 OR 7vth OR 5rs7 OR 7tq6 OR 7v1t OR 5rs9 OR 7vu6 OR 7rm2 OR 7tq4 OR 5rs8 OR 7tq5 OR 6w6y OR 5ru1 OR 5rso OR 5rsn OR 5ru0 OR 5rsq OR 5ru3 OR 5ru2 OR 5rsp OR 5rss OR 5ru5 OR 5rsr OR 5ru4 OR 5rsu OR 5ru7 OR 6wzu OR 5rst OR 5ru6 OR 5rsg OR 5rsf OR 7rme OR 5rsi OR 7rmb OR 7e35 OR 5rsh OR 5rsk OR 5rsj OR 5rsm OR 7aku OR 5rsl OR 7lb7 OR 7com OR 7phz OR 5rsc OR 5rsb OR 5rse OR 5rsd OR 5rt8 OR 7rls OR 5rt7 OR 5rt9 OR 7rn4 OR 7nf5 OR 7x6y OR 7x6z OR 5rtp OR 5rv2 OR 5rto OR 5rv1 OR 5rtr OR 5rv4 OR 7rnk OR 5rtq OR 5rv3 OR 7vvp OR 6w9q OR 5rtt OR 5rv6 OR 5rts OR 5rv5 OR 5rtv OR 5rv8 OR 5rtu OR 5rv7 OR 7vvt OR 5rth OR 5rtg OR 5rtj OR 5rti OR 5rtl OR 8doy OR 5rtk OR 5rtn OR 5rv0 OR 5rtm OR 8dox OR 7rnh OR 6w9c OR 5rtb OR 7nev OR 7rmz OR 5rta OR 5rtd OR 5rtc OR 5rtf OR 5rte OR 5rsw OR 5ru9 OR 7rmt OR 7tqv OR 5ru8 OR 5rsv OR 7ng3 OR 5rsy OR 5rsx OR 7neo OR 7alh OR 7ng6 OR 5rsz OR 7ali OR 5ruq OR 5rup OR 5rus OR 5rur OR 5ruu OR 5rut OR 5ruw OR 5ruv OR 5rui OR 5ruh OR 5ruk OR 8f46 OR 5ruj OR 5rum OR 5rul OR 5ruo OR 5run OR 5rua OR 5ruc OR 5rue OR 8f44 OR 8dpr OR 5rud OR 8f45 OR 5rug OR 5ruf OR 5rtx OR 5rtw OR 5rv9 OR 5rtz OR 5rty OR 7lbn OR 7nfv OR 7amj OR 7rnw OR 5rvr OR 5rvq OR 7t42 OR 5rvt OR 5rvs OR 5rvv OR 7t45 OR 5rvu OR 7t2t OR 7t46 OR 7t43 OR 7t44 OR 7ldl OR 5rvj OR 5rvi OR 5rvl OR 7ap6 OR 5rvk OR 5rvn OR 5rvm OR 5rvp OR 5rvo OR 5rvb OR 8ds1 OR 5rva OR 8ds2 OR 5rvd OR 5rvc OR 8ds0 OR 5rvf OR 5rve OR 7ans OR 5rvh OR 5rvg OR 5ruy OR 5rux OR 7pku OR 5ruz OR 7lco OR 7lct OR 7lcr OR 7lcs OR 6xa9 OR 7nij OR 7tw8 OR 7tw9 OR 7tw7 OR 7nio OR 8drx OR 8dry OR 8drv OR 7rqg OR 7e5x OR 8drw OR 8drz OR 6xa4 OR 6zct OR 7ldx OR 8drt OR 8dru OR 8drr OR 7c33 OR 8drs OR 7t49 OR 7t2u OR 7t48 OR 7t2v OR 7aol OR 5r84 OR 7tvs OR 7tx5 OR 5r83 OR 7tx3 OR 7tx4 OR 7aqe OR 7tvx OR 7lfp OR 6xb2 OR 7c2y OR 6xb0 OR 6xb1 OR 7tx1 OR 5r80 OR 5r82 OR 7lfe OR 7tx0 OR 5r81 OR 7t4a OR 7t4b OR 7c2q OR 7ar6 OR 7ctt OR 7ar5 OR 7aph OR 7e6k OR 7exm OR 7c2i OR 7lg2 OR 7lg3 OR 7c2j OR 7lg7 OR 7c2k OR 7twt OR 7twr OR 7tws OR 7twx OR 7arf OR 7r1t OR 7twy OR 7r1u OR 7twv OR 5r7y OR 7tww OR 7lgo OR 7twj OR 7twp OR 7t70 OR 7twq) AND molecule_sequence:['' TO *] AND status:REL", "fl":"pdb_id,title,experimental_method,resolution", "start":"0", "sort":"", "rows":"500", "wt":"json"}}, - "response":{"numFound":624,"start":0,"docs":[ - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7n06", - "resolution":2.2, - "title":"SARS-CoV-2 Nsp15 endoribonuclease post-cleavage state"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7lbn", - "resolution":1.76, - "title":"X-ray crystal structure of the SARS-CoV-2 main protease with Calpain I Inhibitor"}, + "response":{"numFound":352,"start":0,"docs":[ { "experimental_method":["Electron Microscopy"], "pdb_id":"7tqv", @@ -32,79 +22,58 @@ "title":"SARS-CoV-2 endoribonuclease Nsp15 bound to dsRNA"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7c8b", - "resolution":2.2, - "title":"Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6xch", - "resolution":2.2, - "title":"Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Leupeptin"}, + "pdb_id":"7lbn", + "resolution":1.76, + "title":"X-ray crystal structure of the SARS-CoV-2 main protease with Calpain I Inhibitor"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7rnw", "resolution":2.35, "title":"SARS-CoV-2 Main Protease in complex with a cyclic peptide inhibitor"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6xa4", - "resolution":1.65, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6xfn", - "resolution":1.7, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6xbh", - "resolution":1.6, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7c2y", - "resolution":1.91, - "title":"The crystal structure of COVID-2019 main protease in the apo state"}, + "experimental_method":["Solution NMR"], + "pdb_id":"7pku", + "title":"Structure of SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6w9q", - "resolution":2.05, - "title":"Peptide-bound SARS-CoV-2 Nsp9 RNA-replicase"}, + "pdb_id":"7x6y", + "resolution":1.39, + "title":"TRIM7 in complex with C-terminal peptide of NSP5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7twi", - "resolution":1.1, - "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 539 kGy)"}, + "pdb_id":"7x70", + "resolution":1.25, + "title":"TRIM7 in complex with C-terminal peptide of NSP8"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7lke", - "resolution":2.69, - "title":"X-ray crystal structure of the SARS-CoV-2 main protease in space group C2"}, + "pdb_id":"7x6z", + "resolution":1.43, + "title":"TRIM7 in complex with C-terminal peptide of NSP12"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7twh", - "resolution":1.1, - "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 290 kGy)"}, + "pdb_id":"6xa4", + "resolution":1.65, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7twg", - "resolution":1.1, - "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 153 kGy)"}, + "pdb_id":"7t2u", + "resolution":2.1, + "title":"SARS-CoV2 3C-Like protease complexed with Nemo peptide"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7twq", - "resolution":0.9, - "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 9 (P43 crystal form)"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"6yyt", + "resolution":2.9, + "title":"Structure of replicating SARS-CoV-2 polymerase"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7twf", - "resolution":1.1, - "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 73 kGy)"}, + "pdb_id":"6wx4", + "resolution":1.655, + "title":"Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR251"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7lkd", - "resolution":2.01, - "title":"X-ray crystal structure of the SARS-CoV-2 main protease in space group P21."}, + "pdb_id":"6wuu", + "resolution":2.79, + "title":"Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR250"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7tws", @@ -112,84 +81,56 @@ "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 10 (P43 crystal form)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7e5x", - "resolution":2.19, - "title":"THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE apo form at 2.2 angstrom"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7r7h", - "resolution":2.15, - "title":"Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6xbg", - "resolution":1.45, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7n0c", - "resolution":3.4, - "title":"Cryo-EM structure of the monomeric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7n0c", - "resolution":3.4, - "title":"Cryo-EM structure of the monomeric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7n0b", - "resolution":3.9, - "title":"Cryo-EM structure of SARS-CoV-2 nsp10-nsp14 (WT)-RNA complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7n0b", - "resolution":3.9, - "title":"Cryo-EM structure of SARS-CoV-2 nsp10-nsp14 (WT)-RNA complex"}, + "pdb_id":"7twq", + "resolution":0.9, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 9 (P43 crystal form)"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6m03", - "resolution":2.0, - "title":"The crystal structure of COVID-19 main protease in apo form"}, + "experimental_method":["X-ray diffraction", + "Neutron Diffraction", + "Hybrid"], + "pdb_id":"7tx4", + "resolution":1.9, + "title":"Neutron crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P21 crystal form)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7c2q", - "resolution":1.93, - "title":"The crystal structure of COVID-19 main protease in the apo state"}, + "pdb_id":"7v1t", + "resolution":2.562, + "title":"A dual Inhibitor Against Main Protease"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xhu", - "resolution":1.8, - "title":"Room temperature X-ray crystallography reveals oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: Insights for enzyme mechanism and drug design"}, + "pdb_id":"6w9q", + "resolution":2.05, + "title":"Peptide-bound SARS-CoV-2 Nsp9 RNA-replicase"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7alh", - "resolution":1.65, - "title":"Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.65A resolution (spacegroup C2)."}, + "pdb_id":"7c2y", + "resolution":1.91, + "title":"The crystal structure of COVID-2019 main protease in the apo state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsb", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001674697"}, + "pdb_id":"7vvt", + "resolution":2.51, + "title":"SARS-CoV-2 3CL protease (3CLpro) in complex with a covalent inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsv", - "resolution":1.03, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000340465"}, + "pdb_id":"7t70", + "resolution":2.35, + "title":"Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 4/5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtj", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332752"}, + "pdb_id":"7rqg", + "resolution":2.17, + "title":"Crystal structure of the Nsp3 Y3 domain from SARS-CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ruf", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016989831"}, + "pdb_id":"7twp", + "resolution":0.9, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 7 (P43 crystal form)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7lct", - "resolution":1.93, - "title":"Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability"}, + "pdb_id":"7twx", + "resolution":0.9, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 7 (P43 crystal form)"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7twt", @@ -197,14 +138,16 @@ "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 4 (P43 crystal form)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7twp", - "resolution":0.9, - "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 7 (P43 crystal form)"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7ldl", + "pdb_id":"7tq3", "resolution":2.0, - "title":"Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability"}, + "title":"Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 5c"}, + { + "experimental_method":["X-ray diffraction", + "Neutron Diffraction", + "Hybrid"], + "pdb_id":"7tx5", + "resolution":1.95, + "title":"Neutron crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at 293 K (C2 crystal form)"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7tx1", @@ -212,470 +155,537 @@ "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 10 (P43 crystal form)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7twx", - "resolution":0.9, - "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 7 (P43 crystal form)"}, - { - "experimental_method":["X-ray diffraction"], "pdb_id":"7twr", "resolution":0.9, "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 8 (P43 crystal form)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7faz", - "resolution":2.1, - "title":"Crystal structure of the SARS-CoV-2 main protease in complex with Y180"}, + "pdb_id":"7tq4", + "resolution":2.45, + "title":"Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 6c"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7lgo", - "resolution":2.45, - "title":"Crystal structure of the nucleic acid binding domain (NAB) of Nsp3 from SARS-CoV-2"}, + "pdb_id":"7twy", + "resolution":0.9, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 8 (P43 crystal form)"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7tq2", + "resolution":2.3, + "title":"Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 1c"}, { "experimental_method":["X-ray diffraction", "Neutron Diffraction", "Hybrid"], - "pdb_id":"7tx4", - "resolution":1.9, - "title":"Neutron crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P21 crystal form)"}, + "pdb_id":"7tx3", + "resolution":1.6, + "title":"Neutron crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form)"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7tx0", "resolution":0.84, "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 9 (P43 crystal form)"}, { - "experimental_method":["Solution NMR"], - "pdb_id":"7lhq", - "title":"Solution structure of SARS-CoV-2 nonstructural protein 7 at pH 7.0"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"6w4b", + "resolution":2.95, + "title":"The crystal structure of Nsp9 RNA binding protein of SARS CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsw", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000337835"}, + "pdb_id":"6wxd", + "resolution":2.0, + "title":"SARS-CoV-2 Nsp9 RNA-replicase"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtn", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013514509"}, + "pdb_id":"8f45", + "resolution":1.65, + "title":"Crystal structure of SARS-CoV-2 3CL protease in complex with a phenyl dimethyl sulfane inhibitor (cyclopropyl ketoamide warhead)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rug", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000038389"}, + "pdb_id":"7ali", + "resolution":1.65, + "title":"Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.65A resolution (spacegroup P2(1))."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rv4", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039224"}, + "pdb_id":"7eq4", + "resolution":1.25, + "title":"Crystal Structure of the N-terminus of Nonstructural protein 1 from SARS-CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvv", - "resolution":1.42, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000020269197"}, + "pdb_id":"6xb1", + "resolution":1.8, + "title":"Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsh", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000274438208"}, + "pdb_id":"8f46", + "resolution":1.5, + "title":"Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor (cyano warhead)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtr", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000018169763"}, + "pdb_id":"7tob", + "resolution":2.05, + "title":"Crystal structure of the SARS-CoV-2 Omicron main protease (Mpro) in complex with inhibitor GC376"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ruc", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000005878"}, + "pdb_id":"7alh", + "resolution":1.65, + "title":"Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.65A resolution (spacegroup C2)."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rv5", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008578948"}, + "pdb_id":"7lgo", + "resolution":2.45, + "title":"Crystal structure of the nucleic acid binding domain (NAB) of Nsp3 from SARS-CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rss", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006691828"}, + "pdb_id":"7c2q", + "resolution":1.93, + "title":"The crystal structure of COVID-19 main protease in the apo state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rth", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156863"}, + "pdb_id":"8drs", + "resolution":1.8, + "title":"Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp6-nsp7 (C6) cut site sequence"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ru7", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003591110"}, + "pdb_id":"7t2v", + "resolution":2.47, + "title":"SARS CoV2 Mpro C145S mutant"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rv0", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039994"}, + "pdb_id":"8drt", + "resolution":1.5, + "title":"Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp6-nsp7 (C6) cut site sequence (form 2)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvu", - "resolution":1.2, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002506130"}, + "pdb_id":"7vvp", + "resolution":1.97, + "title":"Crystal structure of SARS-Cov-2 main protease in complex with PF07304814"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsm", - "resolution":1.02, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000001099"}, + "pdb_id":"7nij", + "resolution":1.58, + "title":"SARS-CoV-2 main protease (Mpro) in a novel conformational state."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rur", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000017744334"}, + "pdb_id":"7t2t", + "resolution":1.45, + "title":"SARS-CoV2 Mpro native form"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rs8", - "resolution":1.01, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000001601"}, + "pdb_id":"7pfl", + "resolution":1.8, + "title":"The SARS-CoV2 major protease (Mpro) apo structure to 1.8 A resolution"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rts", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004"}, + "pdb_id":"7pfm", + "resolution":2.0, + "title":"A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7ctt", + "resolution":3.2, + "title":"Cryo-EM structure of Favipiravir bound to replicating polymerase complex of SARS-CoV-2 in the pre-catalytic state."}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7ctt", + "resolution":3.2, + "title":"Cryo-EM structure of Favipiravir bound to replicating polymerase complex of SARS-CoV-2 in the pre-catalytic state."}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7c2k", + "resolution":2.93, + "title":"COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7c2k", + "resolution":2.93, + "title":"COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rum", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008861082"}, + "pdb_id":"7x6y", + "resolution":1.39, + "title":"TRIM7 in complex with C-terminal peptide of NSP5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rv7", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003954002"}, + "pdb_id":"7x70", + "resolution":1.25, + "title":"TRIM7 in complex with C-terminal peptide of NSP8"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7ali", - "resolution":1.65, - "title":"Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.65A resolution (spacegroup P2(1))."}, + "pdb_id":"7x6z", + "resolution":1.43, + "title":"TRIM7 in complex with C-terminal peptide of NSP12"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ru2", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331715"}, + "pdb_id":"7rls", + "resolution":2.0, + "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-68"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsq", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158490"}, + "pdb_id":"7rmb", + "resolution":2.0, + "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-78"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rt7", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000015442276"}, + "pdb_id":"7rme", + "resolution":2.0, + "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-52"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtt", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000873830"}, + "pdb_id":"7rm2", + "resolution":2.0, + "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule-CSR-494190-S1"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rul", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000163774"}, + "pdb_id":"7rn4", + "resolution":1.85, + "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-69"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvj", - "resolution":1.2, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001612349"}, + "pdb_id":"7tll", + "resolution":1.63, + "title":"Structure of SARS-CoV-2 Mpro Omicron P132H in complex with Nirmatrelvir (PF-07321332)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsk", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000901381520_N3"}, + "pdb_id":"7tvx", + "resolution":2.094, + "title":"The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with masitinib"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtd", - "resolution":1.04, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157108"}, + "pdb_id":"7tq6", + "resolution":1.55, + "title":"Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 13d"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ru6", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001442764"}, + "pdb_id":"7rnh", + "resolution":2.0, + "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-45"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ruw", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000045014941"}, + "pdb_id":"7rmt", + "resolution":2.0, + "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-70"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvc", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000933940912"}, + "pdb_id":"7rnk", + "resolution":2.1, + "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-71"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsl", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000365052868"}, + "pdb_id":"7twj", + "resolution":0.9, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 4 (P43 crystal form)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtc", - "resolution":1.06, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006490906"}, + "pdb_id":"6w63", + "resolution":2.1, + "title":"Structure of COVID-19 main protease bound to potent broad-spectrum non-covalent inhibitor X77"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ru3", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161696"}, + "pdb_id":"7c33", + "resolution":3.83, + "title":"Macro domain of SARS-CoV-2 in complex with ADP-ribose"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rux", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002020050"}, + "pdb_id":"6zct", + "resolution":2.55, + "title":"Nonstructural protein 10 (nsp10) from SARS CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvo", - "resolution":1.52, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013514509"}, + "pdb_id":"7cjd", + "resolution":2.501, + "title":"Crystal structure of the SARS-CoV-2 PLpro C111S mutant"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsg", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263392672"}, + "pdb_id":"7cmd", + "resolution":2.59, + "title":"Crystal structure of the SARS-CoV-2 PLpro with GRL0617"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ruo", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001683100"}, + "pdb_id":"7e18", + "resolution":1.65, + "title":"Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor YH-53"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvl", - "resolution":1.36, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000149580"}, + "pdb_id":"7e5x", + "resolution":2.19, + "title":"THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE apo form at 2.2 angstrom"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rse", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000336438345"}, + "pdb_id":"7e19", + "resolution":2.15, + "title":"Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor SH-5"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsz", - "resolution":1.02, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004218283"}, + "pdb_id":"7lct", + "resolution":1.93, + "title":"Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5ru1", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000034687"}, + "experimental_method":["X-ray diffraction", + "Neutron Diffraction", + "Hybrid"], + "pdb_id":"7lb7", + "resolution":2.0, + "title":"Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with Telaprevir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rus", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388081"}, + "pdb_id":"7lco", + "resolution":1.9, + "title":"Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvk", - "resolution":1.46, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002977810"}, + "pdb_id":"7lg7", + "resolution":2.3, + "title":"Crystal structure of CoV-2 Nsp3 Macrodomain complex with PARG345"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsf", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000026180281"}, + "pdb_id":"7rmz", + "resolution":2.1, + "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-63"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsc", - "resolution":1.01, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003888754"}, + "pdb_id":"7lcr", + "resolution":1.95, + "title":"Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtq", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015078"}, + "pdb_id":"7lcs", + "resolution":1.85, + "title":"Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ruk", - "resolution":1.05, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161692"}, + "pdb_id":"7ldl", + "resolution":2.0, + "title":"Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rv3", - "resolution":1.02, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000057162"}, + "pdb_id":"8f44", + "resolution":1.65, + "title":"Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvt", - "resolution":1.26, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714"}, + "pdb_id":"7t43", + "resolution":1.7, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvd", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263980802"}, + "pdb_id":"7t4b", + "resolution":1.6, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 14c"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ruq", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000032199226"}, + "pdb_id":"7vth", + "resolution":2.0, + "title":"The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvr", - "resolution":1.04, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016052862"}, + "pdb_id":"8drr", + "resolution":2.0, + "title":"Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp4-nsp5 (C4) cut site sequence"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rv1", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000251609"}, + "pdb_id":"7vu6", + "resolution":1.8, + "title":"The crystal structure of SARS-CoV-2 3CL protease in complex with compound 3"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rti", - "resolution":1.01, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004219237"}, + "pdb_id":"7t44", + "resolution":1.45, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 4c"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rty", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088"}, + "pdb_id":"7t42", + "resolution":1.6, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 2c"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ruz", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019685960"}, + "pdb_id":"7ng3", + "resolution":1.8, + "title":"Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P1."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvp", - "resolution":1.04, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817"}, + "pdb_id":"7nbs", + "resolution":1.7, + "title":"Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor telaprevir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsp", - "resolution":1.02, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002560357"}, + "pdb_id":"7t45", + "resolution":1.65, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 7c"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtg", - "resolution":1.01, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000395673"}, + "pdb_id":"7t46", + "resolution":1.45, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 8c"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtf", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002047514"}, + "pdb_id":"8ds0", + "resolution":2.2, + "title":"Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp14-nsp15 (C14) cut site sequence (form 2)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ru8", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817"}, + "pdb_id":"8drx", + "resolution":1.5, + "title":"Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp10-nsp11 (C10) cut site sequence (form 2)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ruv", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015194"}, + "pdb_id":"7nbr", + "resolution":2.4, + "title":"Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor boceprevir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvn", - "resolution":1.26, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332748"}, + "pdb_id":"7t49", + "resolution":1.75, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 10c"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtx", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000090873"}, + "pdb_id":"8dry", + "resolution":2.49, + "title":"Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp12-nsp13 (C12) cut site sequence"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ruj", - "resolution":1.01, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404314"}, + "pdb_id":"8drv", + "resolution":2.4, + "title":"Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp8-nsp9 (C8) cut site sequence"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvb", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000014419577"}, + "experimental_method":["Solution NMR"], + "pdb_id":"7pku", + "title":"Structure of SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvf", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000082473428_N3"}, + "pdb_id":"6xa9", + "resolution":2.9, + "title":"SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsy", - "resolution":1.04, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004787230"}, + "pdb_id":"7tvs", + "resolution":1.8861288, + "title":"The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with demethylated analog of masitinib"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtp", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001679336"}, + "pdb_id":"7tww", + "resolution":0.9, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 6 (P43 crystal form)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ru4", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001688638"}, + "pdb_id":"7tw7", + "resolution":1.62, + "title":"Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SAM"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ruu", - "resolution":1.01, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000438614"}, + "pdb_id":"7tw8", + "resolution":1.55, + "title":"Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SAH"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7twy", + "pdb_id":"7tq5", + "resolution":1.65, + "title":"Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 10d"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7rn0", + "resolution":2.25, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-57-3R"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7twv", "resolution":0.9, - "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 8 (P43 crystal form)"}, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 5 (P43 crystal form)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7rqg", - "resolution":2.17, - "title":"Crystal structure of the Nsp3 Y3 domain from SARS-CoV-2"}, + "pdb_id":"7rfr", + "resolution":1.626, + "title":"Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvm", - "resolution":1.03, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088"}, + "pdb_id":"6xb0", + "resolution":1.8, + "title":"Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rve", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000736709772"}, + "pdb_id":"6xb2", + "resolution":2.1, + "title":"Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ru5", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000098208711"}, + "pdb_id":"7cjm", + "resolution":3.2, + "title":"SARS CoV-2 PLpro in complex with GRL0617"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ruy", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013517187"}, + "pdb_id":"7exm", + "resolution":1.96, + "title":"The N-terminal crystal structure of SARS-CoV-2 NSP2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvs", - "resolution":1.52, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004"}, + "pdb_id":"7e6k", + "resolution":1.6, + "title":"Viral protease"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsd", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331945"}, + "pdb_id":"7nio", + "resolution":2.2, + "title":"Crystal structure of the SARS-CoV-2 helicase APO form"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtl", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388056"}, + "pdb_id":"8dru", + "resolution":2.31, + "title":"Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp7-nsp8 (C7) cut site sequence"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsj", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000089254160_N3"}, + "pdb_id":"8ds1", + "resolution":2.19, + "title":"Structure of SARS-CoV-2 Mpro in complex with nsp12-nsp13 (C12) cut site sequence"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtb", - "resolution":1.04, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006534965"}, + "pdb_id":"8dox", + "resolution":1.46, + "title":"Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rv9", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388150"}, + "pdb_id":"7t48", + "resolution":1.9, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 9c"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsr", + "pdb_id":"7t4a", + "resolution":1.8, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 11c"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7rn1", + "resolution":2.3, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-62-2R"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7phz", + "resolution":1.66, + "title":"Crystal structure of X77 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P2(1)2(1)2(1)."}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6wxc", + "resolution":1.85, + "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6w9c", + "resolution":2.7, + "title":"The crystal structure of papain-like protease of SARS CoV-2"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6w6y", + "resolution":1.451, + "title":"Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in complex with AMP"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rta", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158650"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332540"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7k9p", + "resolution":2.6, + "title":"Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX."}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rte", @@ -683,39 +693,69 @@ "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013283576"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtz", + "pdb_id":"5rv1", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404062"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000251609"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ruh", + "pdb_id":"5ru7", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000123600"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003591110"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rv6", + "pdb_id":"5rul", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158540"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000163774"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5run", + "pdb_id":"5rls", + "resolution":2.278, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z59181945"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rs9", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000194295"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000007636250"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsn", + "pdb_id":"5rlr", + "resolution":2.32, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z822382694"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rtc", + "resolution":1.06, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006490906"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rse", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000064576"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000336438345"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rta", + "pdb_id":"5rsp", + "resolution":1.02, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002560357"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rsq", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332540"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158490"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ru0", + "pdb_id":"5rus", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388514"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388081"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rsj", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000089254160_N3"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rut", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161958"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rsi", @@ -723,49 +763,59 @@ "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000374420934"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rto", + "pdb_id":"5rtk", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388302"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164504"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rud", + "pdb_id":"5rvp", + "resolution":1.04, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rlt", + "resolution":2.43, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53116498"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rsr", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008615114"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158650"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5ru9", + "pdb_id":"5rtp", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000165882"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001679336"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvh", - "resolution":0.98, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000265642"}, + "pdb_id":"5rvl", + "resolution":1.36, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000149580"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rst", + "pdb_id":"5rsu", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332673"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002055"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtk", + "pdb_id":"5rug", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164504"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000038389"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rv2", - "resolution":1.01, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000311783"}, + "pdb_id":"5rs7", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000034618676"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvq", - "resolution":1.08, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002508153"}, + "pdb_id":"5ru6", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001442764"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rv8", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039575"}, + "pdb_id":"5rtd", + "resolution":1.04, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157108"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rtw", @@ -773,24 +823,24 @@ "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164777"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rup", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004976927"}, + "pdb_id":"5rvt", + "resolution":1.26, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rva", + "pdb_id":"5rvb", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016343276"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000014419577"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rt8", + "pdb_id":"5ruy", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161908"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013517187"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtu", + "pdb_id":"5ru0", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159056"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388514"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5rui", @@ -798,605 +848,519 @@ "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332651"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvg", + "pdb_id":"5rvj", + "resolution":1.2, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001612349"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rtr", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000018169763"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7cut", - "resolution":1.82, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with Z-VAD-FMK"}, + "pdb_id":"5rtg", + "resolution":1.01, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000395673"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6zct", - "resolution":2.55, - "title":"Nonstructural protein 10 (nsp10) from SARS CoV-2"}, + "pdb_id":"5rv9", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388150"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7c8t", - "resolution":2.05, - "title":"Complex Structure of SARS-CoV-2 3CL Protease with TG-0205221"}, + "pdb_id":"5rt3", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000039281982"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7c6s", - "resolution":1.6, - "title":"Crystal structure of the SARS-CoV-2 main protease complexed with Boceprevir"}, + "pdb_id":"5ruv", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015194"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7c8r", - "resolution":2.3, - 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"title":"1.55 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c"}, + "pdb_id":"5rt8", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161908"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7ng3", - "resolution":1.8, - "title":"Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P1."}, + "pdb_id":"5rth", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156863"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rsx", - "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388262"}, + "pdb_id":"5rvr", + "resolution":1.04, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016052862"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rvi", - "resolution":0.94, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000084843283"}, + "pdb_id":"5rsy", + "resolution":1.04, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004787230"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rt9", - "resolution":1.01, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388280"}, + "pdb_id":"5rvh", + "resolution":0.98, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000265642"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtv", + "pdb_id":"5rtx", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001698894"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000090873"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rua", + "pdb_id":"5rux", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000033986325"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002020050"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7cwb", - "resolution":1.9, - "title":"Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 1.9 A Resolution (C121)"}, + "pdb_id":"5rvs", + "resolution":1.52, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5rtm", + "pdb_id":"5ruz", "resolution":1.0, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002005"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5rso", - "resolution":1.03, - "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000226"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7c2k", - "resolution":2.93, - "title":"COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7c2k", - "resolution":2.93, - "title":"COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex"}, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019685960"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6w9c", - "resolution":2.7, - "title":"The crystal structure of papain-like protease of SARS CoV-2"}, + "pdb_id":"5rti", + "resolution":1.01, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004219237"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7c7p", - "resolution":1.74, - "title":"Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir"}, + "pdb_id":"5rvq", + "resolution":1.08, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002508153"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7lkw", - "resolution":1.7, - "title":"1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3d (deuterated analog of inhibitor 3c)"}, + "pdb_id":"5rty", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nio", - "resolution":2.2, - "title":"Crystal structure of the SARS-CoV-2 helicase APO form"}, + "pdb_id":"5rv4", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039224"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7llz", - "resolution":2.9, - "title":"SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-69"}, + "pdb_id":"5rv5", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008578948"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7ng6", - "resolution":1.87, - "title":"Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P1 in absence of DTT."}, + "pdb_id":"5ru1", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000034687"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nt3", - "resolution":2.325, - "title":"Crystal structure of SARS CoV2 main protease in complex with FSCU015"}, + "pdb_id":"5run", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000194295"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7r2v", - "resolution":2.53, - "title":"Structure of nsp14 from SARS-CoV-2 in complex with SAH"}, + "pdb_id":"5rvm", + "resolution":1.03, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7cwc", - "resolution":2.1, - "title":"Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 2.1 A Resolution (P212121)"}, + "pdb_id":"5ruf", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016989831"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7cx9", - "resolution":1.73, - "title":"Crystal structure of the SARS-CoV-2 main protease in complex with INZ-1"}, + "pdb_id":"5rts", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5saa", - "resolution":2.239, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z319891284"}, + "pdb_id":"5rob", + "resolution":1.87, + "title":"PanDDA analysis group deposition of ground-state model of SARS-CoV-2 helicase"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7com", - "resolution":2.25, - "title":"Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121)"}, + "pdb_id":"5ru8", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sa5", - "resolution":2.09, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z1530301542"}, + "pdb_id":"5rsg", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263392672"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sab", - "resolution":2.486, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z31504642"}, + "pdb_id":"5rtt", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000873830"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xch", - "resolution":2.2, - "title":"Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Leupeptin"}, + "pdb_id":"5rvv", + "resolution":1.42, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000020269197"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xa9", - "resolution":2.9, - "title":"SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide"}, + "pdb_id":"5rup", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004976927"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7lmc", - "resolution":2.977, - "title":"Structure of SARS CoV-2 main protease shows simultaneous processing of its N- and C-terminii"}, + "pdb_id":"5rlo", + "resolution":2.097, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1454310449"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7lmc", - "resolution":2.977, - "title":"Structure of SARS CoV-2 main protease shows simultaneous processing of its N- and C-terminii"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7n06", - "resolution":2.2, - "title":"SARS-CoV-2 Nsp15 endoribonuclease post-cleavage state"}, + "pdb_id":"5rst", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332673"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7lfz", - "resolution":1.9, - "title":"Human leukocyte antigen B*07:02 in complex with SARS-CoV2 epitope IPRRNVATL"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxm", - "resolution":2.9, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxm", - "resolution":2.9, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxm", - "resolution":2.9, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxn", - "resolution":3.84, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxn", - "resolution":3.84, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxn", - "resolution":3.84, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, + "pdb_id":"5rv8", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039575"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6w6y", - "resolution":1.451, - "title":"Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in complex with AMP"}, + "pdb_id":"5rtj", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332752"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6m0k", - "resolution":1.504, - "title":"The crystal structure of COVID-19 main protease in complex with an inhibitor 11b"}, + "pdb_id":"5rtz", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404062"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5r7z", - "resolution":1.59, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1220452176"}, + "pdb_id":"5ru2", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331715"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5r8t", - "resolution":1.27, - "title":"PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease screened against DSI poised (Enamine), Fraglites and Peplites (Newcastle university), Mini Frags (Astex), York 3D (York university), electrophile cysteine covalent (Weizman institute) fragment libraries"}, + "pdb_id":"5rvu", + "resolution":1.2, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002506130"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5r81", - "resolution":1.95, - "title":"PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z1367324110"}, + "pdb_id":"5rvn", + "resolution":1.26, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332748"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xg3", - "resolution":2.48, - "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, at room temperature"}, + "pdb_id":"5rsk", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000901381520_N3"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5r82", - "resolution":1.31, - "title":"PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z219104216"}, + "pdb_id":"5rsv", + "resolution":1.03, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000340465"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5r84", - "resolution":1.83, - "title":"PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z31792168"}, + "pdb_id":"7nbt", + "resolution":1.63, + "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 21"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7neo", - "resolution":1.64, - "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 15"}, + "pdb_id":"7ng6", + "resolution":1.87, + "title":"Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P1 in absence of DTT."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nng", - "resolution":2.38, - "title":"Crystal structure of the SARS-CoV-2 helicase in complex with Z2327226104"}, + "pdb_id":"7com", + "resolution":2.25, + "title":"Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nt2", - "resolution":2.145, - "title":"Crystal structure of SARS CoV2 main protease in complex with FSP006"}, + "pdb_id":"8drw", + "resolution":2.67, + "title":"Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp9-nsp10 (C9) cut site sequence"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nn0", - "resolution":3.04, - "title":"Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP"}, + "pdb_id":"8ds2", + "resolution":1.6, + "title":"Structure of SARS-CoV-2 Mpro in complex with the nsp13-nsp14 (C13) cut site sequence (form 2)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nt1", - "resolution":2.85, - "title":"Crystal structure of SARS CoV2 main protease in complex with FSP007"}, + "pdb_id":"8dpr", + "resolution":2.0, + "title":"Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7nf5", @@ -1404,54 +1368,34 @@ "title":"Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup C2."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nt4", - "resolution":2.68, - "title":"X-ray structure of SCoV2-PLpro in complex with small molecule inhibitor"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7au4", - "resolution":1.82, - "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 3"}, + "pdb_id":"7nby", + "resolution":1.93, + "title":"Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7cuu", - "resolution":1.68, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with MG132"}, + "pdb_id":"7neo", + "resolution":1.64, + "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 15"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7t9w", - "resolution":2.2, - "title":"Crystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marker) domain from SARS-CoV-2"}, + "pdb_id":"8drz", + "resolution":1.98, + "title":"Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp13-nsp14 (C13) cut site sequence"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7lbn", "resolution":1.76, "title":"X-ray crystal structure of the SARS-CoV-2 main protease with Calpain I Inhibitor"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6xez", - "resolution":3.5, - "title":"Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6xez", - "resolution":3.5, - "title":"Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC"}, - { "experimental_method":["X-ray diffraction"], - "pdb_id":"7c8b", - "resolution":2.2, - "title":"Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7e35", - "resolution":2.4, - "title":"Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43"}, + "pdb_id":"7t2u", + "resolution":2.1, + "title":"SARS-CoV2 3C-Like protease complexed with Nemo peptide"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7rnw", - "resolution":2.35, - "title":"SARS-CoV-2 Main Protease in complex with a cyclic peptide inhibitor"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7tqv", + "resolution":3.43, + "title":"SARS-CoV-2 endoribonuclease Nsp15 bound to dsRNA"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7lg2", @@ -1463,35 +1407,45 @@ "resolution":2.3, "title":"Human leukocyte antigen A*0201 in complex with SARS-CoV2 epitope KLWAQCVQL"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7tqv", - "resolution":3.43, - "title":"SARS-CoV-2 endoribonuclease Nsp15 bound to dsRNA"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7rnw", + "resolution":2.35, + "title":"SARS-CoV-2 Main Protease in complex with a cyclic peptide inhibitor"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cyq", - "resolution":2.83, - "title":"Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7c2i", + "resolution":2.5, + "title":"Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization)"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cyq", - "resolution":2.83, - "title":"Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7e35", + "resolution":2.4, + "title":"Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wzu", - "resolution":1.79, - "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 , P3221 space group"}, + "pdb_id":"7c2j", + "resolution":2.799, + "title":"Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5r83", - "resolution":1.58, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z44592329"}, + "pdb_id":"7c2j", + "resolution":2.799, + "title":"Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5r7y", - "resolution":1.65, - "title":"PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z45617795"}, + "pdb_id":"7tw9", + "resolution":1.41, + "title":"Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to Sinefungin"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6wtt", + "resolution":2.15, + "title":"Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5r82", + "resolution":1.31, + "title":"PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z219104216"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"5r80", @@ -1499,49 +1453,74 @@ "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z18197050"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xdh", - "resolution":2.35, - "title":"Crystal Structure of NendoU (Uridylate-specific endoribonuclease, nsp15) from Betacoronavirus SARS-CoV-2"}, + "pdb_id":"5r84", + "resolution":1.83, + "title":"PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z31792168"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nfv", - "resolution":1.42, - "title":"Structure of SARS-CoV-2 Papain-like protease PLpro"}, + "pdb_id":"5rt9", + "resolution":1.01, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388280"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rvi", + "resolution":0.94, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000084843283"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rsx", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388262"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jir", - "resolution":2.09, - "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder457 inhibitor"}, + "pdb_id":"5rt6", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156509"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rso", + "resolution":1.03, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000226"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jit", + "pdb_id":"5r81", "resolution":1.95, - "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder495 inhibitor"}, + "title":"PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z1367324110"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7c2i", - "resolution":2.5, - "title":"Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization)"}, + "pdb_id":"5rua", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000033986325"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7c2i", - "resolution":2.5, - "title":"Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization)"}, + "pdb_id":"5rue", + "resolution":1.02, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000922"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7c2j", - "resolution":2.799, - "title":"Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization)"}, + "pdb_id":"5r7y", + "resolution":1.65, + "title":"PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z45617795"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7c2j", - "resolution":2.799, - "title":"Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization)"}, + "pdb_id":"5r83", + "resolution":1.58, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z44592329"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xbg", - "resolution":1.45, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246"}, + "pdb_id":"5rtm", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002005"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5rtv", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001698894"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"8doy", + "resolution":1.59, + "title":"Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6xa4", @@ -1549,24 +1528,19 @@ "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xaa", - "resolution":2.7, - "title":"SARS CoV-2 PLpro in complex with ubiquitin propargylamide"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"6xaa", - "resolution":2.7, - "title":"SARS CoV-2 PLpro in complex with ubiquitin propargylamide"}, + "pdb_id":"6w61", + "resolution":2.0, + "title":"Crystal Structure of the methyltransferase-stimulatory factor complex of NSP16 and NSP10 from SARS CoV-2."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xfn", - "resolution":1.7, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243"}, + "pdb_id":"6w61", + "resolution":2.0, + "title":"Crystal Structure of the methyltransferase-stimulatory factor complex of NSP16 and NSP10 from SARS CoV-2."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xbh", - "resolution":1.6, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247"}, + "pdb_id":"7c2i", + "resolution":2.5, + "title":"Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization)"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7ldx", @@ -1584,29 +1558,59 @@ "title":"SARS-CoV-2 Main protease immature form - F2X Entry Library E03 fragment"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7cut", - "resolution":1.82, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with Z-VAD-FMK"}, + "pdb_id":"7t70", + "resolution":2.35, + "title":"Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 4/5"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7r1u", + "resolution":2.5, + "title":"Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7n0c", - "resolution":3.4, - "title":"Cryo-EM structure of the monomeric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7r1u", + "resolution":2.5, + "title":"Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7r1t", + "resolution":2.7, + "title":"Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the SS148 inhibitor"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7r1t", + "resolution":2.7, + "title":"Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the SS148 inhibitor"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7n0c", - "resolution":3.4, - "title":"Cryo-EM structure of the monomeric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, + "pdb_id":"6yyt", + "resolution":2.9, + "title":"Structure of replicating SARS-CoV-2 polymerase"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7n0b", - "resolution":3.9, - "title":"Cryo-EM structure of SARS-CoV-2 nsp10-nsp14 (WT)-RNA complex"}, + "pdb_id":"6yyt", + "resolution":2.9, + "title":"Structure of replicating SARS-CoV-2 polymerase"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7n0b", - "resolution":3.9, - "title":"Cryo-EM structure of SARS-CoV-2 nsp10-nsp14 (WT)-RNA complex"}, + "pdb_id":"6yyt", + "resolution":2.9, + "title":"Structure of replicating SARS-CoV-2 polymerase"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6wzu", + "resolution":1.79, + "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 , P3221 space group"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7nfv", + "resolution":1.42, + "title":"Structure of SARS-CoV-2 Papain-like protease PLpro"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6wuu", + "resolution":2.79, + "title":"Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR250"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6xa9", @@ -1614,104 +1618,109 @@ "title":"SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xbi", - "resolution":1.7, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248"}, + "pdb_id":"6w75", + "resolution":1.951, + "title":"1.95 Angstrom Resolution Crystal Structure of NSP10 - NSP16 Complex from SARS-CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jhe", - "resolution":2.25, - "title":"Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with 2'-O-methylated m7GpppA Cap-1 and SAH Determined by Fixed-Target Serial Crystallography"}, + "pdb_id":"6w75", + "resolution":1.951, + "title":"1.95 Angstrom Resolution Crystal Structure of NSP10 - NSP16 Complex from SARS-CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7aph", - "resolution":1.65, - "title":"Structure of SARS-CoV-2 Main Protease bound to Tofogliflozin."}, + "pdb_id":"6w4h", + "resolution":1.8, + "title":"1.80 Angstrom Resolution Crystal Structure of NSP16 - NSP10 Complex from SARS-CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7ap6", - "resolution":1.78, - "title":"Structure of SARS-CoV-2 Main Protease bound to MUT056399."}, + "pdb_id":"6w4h", + "resolution":1.8, + "title":"1.80 Angstrom Resolution Crystal Structure of NSP16 - NSP10 Complex from SARS-CoV-2"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7aqe", "resolution":1.39, "title":"Structure of SARS-CoV-2 Main Protease bound to UNC-2327"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7aqj", - "resolution":2.59, - "title":"Structure of SARS-CoV-2 Main Protease bound to Triglycidyl isocyanurate."}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7ctt", + "resolution":3.2, + "title":"Cryo-EM structure of Favipiravir bound to replicating polymerase complex of SARS-CoV-2 in the pre-catalytic state."}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7awr", - "resolution":1.34, - "title":"Structure of SARS-CoV-2 Main Protease bound to Tegafur"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7ctt", + "resolution":3.2, + "title":"Cryo-EM structure of Favipiravir bound to replicating polymerase complex of SARS-CoV-2 in the pre-catalytic state."}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7ay7", - "resolution":1.55, - "title":"Structure of SARS-CoV-2 Main Protease bound to Isofloxythepin"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7c2k", + "resolution":2.93, + "title":"COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7avd", - "resolution":1.8, - "title":"Structure of SARS-CoV-2 Main Protease bound to SEN1269 ligand"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7c2k", + "resolution":2.93, + "title":"COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7axm", - "resolution":1.4, - "title":"Structure of SARS-CoV-2 Main Protease bound to Pelitinib"}, + "pdb_id":"7nev", + "resolution":1.7, + "title":"Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7ax6", - "resolution":1.95, - "title":"Structure of SARS-CoV-2 Main Protease bound to Glutathione isopropyl ester"}, + "pdb_id":"6wx4", + "resolution":1.655, + "title":"Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR251"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7aol", - "resolution":1.47, - "title":"Structure of SARS-CoV-2 Main Protease bound to Climbazole"}, + "pdb_id":"6wvn", + "resolution":2.0, + "title":"Crystal Structure of Nsp16-Nsp10 from SARS-CoV-2 in Complex with 7-methyl-GpppA and S-Adenosylmethionine."}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7n0d", - "resolution":2.5, - "title":"Cryo-EM structure of the tetrameric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"6wvn", + "resolution":2.0, + "title":"Crystal Structure of Nsp16-Nsp10 from SARS-CoV-2 in Complex with 7-methyl-GpppA and S-Adenosylmethionine."}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7ctt", "resolution":3.2, "title":"Cryo-EM structure of Favipiravir bound to replicating polymerase complex of SARS-CoV-2 in the pre-catalytic state."}, { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7c2k", + "resolution":2.93, + "title":"COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex"}, + { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jib", - "resolution":2.65, - "title":"Room Temperature Crystal Structure of Nsp10/Nsp16 from SARS-CoV-2 with Substrates and Products of 2'-O-methylation of the Cap-1"}, + "pdb_id":"7aph", + "resolution":1.65, + "title":"Structure of SARS-CoV-2 Main Protease bound to Tofogliflozin."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jib", - "resolution":2.65, - "title":"Room Temperature Crystal Structure of Nsp10/Nsp16 from SARS-CoV-2 with Substrates and Products of 2'-O-methylation of the Cap-1"}, + "pdb_id":"7ap6", + "resolution":1.78, + "title":"Structure of SARS-CoV-2 Main Protease bound to MUT056399."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jhe", - "resolution":2.25, - "title":"Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with 2'-O-methylated m7GpppA Cap-1 and SAH Determined by Fixed-Target Serial Crystallography"}, + "pdb_id":"7ak4", + "resolution":1.63, + "title":"Structure of SARS-CoV-2 Main Protease bound to Tretazicar."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nev", - "resolution":1.7, - "title":"Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin"}, + "pdb_id":"7aku", + "resolution":2.5, + "title":"Structure of SARS-CoV-2 Main Protease bound to Calpeptin."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7aww", - "resolution":1.65, - "title":"Structure of SARS-CoV-2 Main Protease bound to Clonidine"}, + "pdb_id":"7aol", + "resolution":1.47, + "title":"Structure of SARS-CoV-2 Main Protease bound to Climbazole"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7aws", - "resolution":1.81, - "title":"Structure of SARS-CoV-2 Main Protease bound to TH-302."}, + "pdb_id":"7ar5", + "resolution":1.4, + "title":"Structure of apo SARS-CoV-2 Main Protease with small beta angle, space group C2."}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7ans", @@ -1719,164 +1728,44 @@ "title":"Structure of SARS-CoV-2 Main Protease bound to Adrafinil."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7aqi", - "resolution":1.7, - "title":"Structure of SARS-CoV-2 Main Protease bound to Ifenprodil"}, + "pdb_id":"7ar6", + "resolution":1.4, + "title":"Structure of apo SARS-CoV-2 Main Protease with large beta angle, space group C2."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7awu", - "resolution":2.07, - "title":"Structure of SARS-CoV-2 Main Protease bound to LSN2463359."}, + "pdb_id":"7amj", + "resolution":1.59, + "title":"Structure of SARS-CoV-2 Main Protease bound to PD 168568."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7ar5", - "resolution":1.4, - "title":"Structure of apo SARS-CoV-2 Main Protease with small beta angle, space group C2."}, + "pdb_id":"7lg2", + "resolution":2.4, + "title":"Human leukocyte antigen A*0201 in complex with SARS-CoV2 epitope ALWEIQQVV"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7aku", - "resolution":2.5, - "title":"Structure of SARS-CoV-2 Main Protease bound to Calpeptin."}, + "pdb_id":"7lg3", + "resolution":2.3, + "title":"Human leukocyte antigen A*0201 in complex with SARS-CoV2 epitope KLWAQCVQL"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7c2k", - "resolution":2.93, - "title":"COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7aga", + "resolution":1.68, + "title":"Structure of SARS-CoV-2 Main Protease bound to AT7519"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7c2k", - "resolution":2.93, - "title":"COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7arf", + "resolution":2.0, + "title":"Structure of SARS-CoV-2 Main Protease bound to thioglucose."}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7n0d", - "resolution":2.5, - "title":"Cryo-EM structure of the tetrameric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7ctt", - "resolution":3.2, - "title":"Cryo-EM structure of Favipiravir bound to replicating polymerase complex of SARS-CoV-2 in the pre-catalytic state."}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7ctt", - "resolution":3.2, - "title":"Cryo-EM structure of Favipiravir bound to replicating polymerase complex of SARS-CoV-2 in the pre-catalytic state."}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7c2k", - "resolution":2.93, - "title":"COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxm", - "resolution":2.9, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxm", - "resolution":2.9, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxm", - "resolution":2.9, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxn", - "resolution":3.84, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxn", - "resolution":3.84, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxn", - "resolution":3.84, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7aha", + "resolution":1.68, + "title":"Structure of SARS-CoV-2 Main Protease bound to Maleate."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7arf", - "resolution":2.0, - "title":"Structure of SARS-CoV-2 Main Protease bound to thioglucose."}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7a1u", - "resolution":1.67, - "title":"Structure of SARS-CoV-2 Main Protease bound to Fusidic Acid."}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7amj", - "resolution":1.59, - "title":"Structure of SARS-CoV-2 Main Protease bound to PD 168568."}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7ar6", - "resolution":1.4, - "title":"Structure of apo SARS-CoV-2 Main Protease with large beta angle, space group C2."}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7lfz", - "resolution":1.9, - "title":"Human leukocyte antigen B*07:02 in complex with SARS-CoV2 epitope IPRRNVATL"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6xez", - "resolution":3.5, - "title":"Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6xez", - "resolution":3.5, - "title":"Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6xez", - "resolution":3.5, - "title":"Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6xez", - "resolution":3.5, - "title":"Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxm", - "resolution":2.9, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cxn", - "resolution":3.84, - "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cyq", - "resolution":2.83, - "title":"Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cyq", - "resolution":2.83, - "title":"Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cyq", - "resolution":2.83, - "title":"Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cyq", - "resolution":2.83, - "title":"Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7cyq", - "resolution":2.83, - "title":"Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis"}, + "pdb_id":"7nev", + "resolution":1.7, + "title":"Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7lg2", @@ -1886,635 +1775,5 @@ "experimental_method":["X-ray diffraction"], "pdb_id":"7lg3", "resolution":2.3, - "title":"Human leukocyte antigen A*0201 in complex with SARS-CoV2 epitope KLWAQCVQL"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7nev", - "resolution":1.7, - "title":"Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zlw", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zlw", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zlw", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zlw", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zme", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zme", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zme", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zme", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to 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{ - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zlw", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zlw", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome 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"title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zme", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zme", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zme", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zme", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zme", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zme", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zme", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zme", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zme", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zlw", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zn5", - "resolution":3.2, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zm7", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex"}] + "title":"Human leukocyte antigen A*0201 in complex with SARS-CoV2 epitope KLWAQCVQL"}] }} diff --git a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt3.txt b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt3.txt index 480955c..60c9cfa 100644 --- a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt3.txt +++ b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt3.txt @@ -1 +1 @@ -https://www.ebi.ac.uk/pdbe/search/pdb/select?wt=json&fl=pdb_id,title,experimental_method,resolution&rows=500&start=0&q=(5sac+OR+7jiv+OR+5saf+OR+7axo+OR+5sae+OR+7jiw+OR+5sah+OR+6xhm+OR+5sag+OR+7fay+OR+7rzc+OR+5sai+OR+7los+OR+7jkv+OR+6m2n+OR+6m2q+OR+7n33+OR+6zmt+OR+6xip+OR+6zmi+OR+5sbf+OR+6zmo+OR+7jlt+OR+7ntv+OR+6xkh+OR+6zoj+OR+6xkf+OR+7nts+OR+7jn2+OR+7n44+OR+6zp4+OR+7l14+OR+6zpe+OR+7nw2+OR+7l12+OR+7l13+OR+7l10+OR+7l11+OR+7jme+OR+7n3k+OR+7nuk+OR+6zon+OR+6zok+OR+6xkm+OR+7jp0+OR+6m71+OR+7jp1+OR+6m5i+OR+7l0d+OR+7n5z+OR+7joy+OR+7jq0+OR+7jq1+OR+7jq4+OR+7jq5+OR+7jq2+OR+7jq3+OR+7l1f+OR+7dcd+OR+6xmk+OR+7bb2+OR+7n89+OR+7jpy+OR+7jpz+OR+6zsl+OR+7n83+OR+7jr3+OR+6xoa+OR+7jr4+OR+7ltj+OR+7jpe+OR+7ltn+OR+7n6n+OR+7ddc+OR+6zrt+OR+6zru+OR+7n7y+OR+7dg6+OR+7n7r+OR+7lw4+OR+7lw3+OR+7bal+OR+6z2e+OR+7n7w+OR+7baj+OR+7bak+OR+7n7u+OR+7jqb+OR+7jqc+OR+6xqb+OR+7jt7+OR+7dfg+OR+7jt0+OR+7jrn+OR+7dfh+OR+7n8c+OR+6xr3+OR+7be7+OR+7jst+OR+7ju7+OR+7jsu+OR+5sl7+OR+5sl6+OR+5sl9+OR+5sl8+OR+5sl1+OR+5sl0+OR+5sl3+OR+6xqu+OR+5sl2+OR+7l5d+OR+6xqs+OR+5sl5+OR+5sl4+OR+6xqt+OR+5slg+OR+7qbb+OR+7bf5+OR+5slf+OR+7bf6+OR+7bf3+OR+5sli+OR+7bf4+OR+5slh+OR+5slk+OR+6z72+OR+5slj+OR+5slm+OR+5sll+OR+7l6t+OR+6x1b+OR+5sla+OR+7l6r+OR+5slc+OR+5slb+OR+5sle+OR+5sld+OR+5sm8+OR+5sm7+OR+5skx+OR+5sm9+OR+5skw+OR+5skz+OR+5sky+OR+5sm0+OR+5sm2+OR+5sm1+OR+5sm4+OR+5sm3+OR+5sm6+OR+5sm5+OR+5smh+OR+5smg+OR+5smi+OR+5smk+OR+7diy+OR+7dk1+OR+5smb+OR+5sma+OR+5smd+OR+6z6i+OR+5smc+OR+7jw8+OR+5smf+OR+5sme+OR+5slw+OR+5slv+OR+5sly+OR+5slx+OR+5slz+OR+7jun+OR+5slo+OR+6z5t+OR+5sln+OR+5slq+OR+5slp+OR+5sls+OR+5slr+OR+7lyh+OR+5slu+OR+7lyi+OR+5slt+OR+7lzw+OR+7lzx+OR+7lzu+OR+7lzv+OR+7jvz+OR+7lzy+OR+7djr+OR+7lzz+OR+7lzt+OR+7si9+OR+7l8i+OR+7bfb+OR+7l8j+OR+6x4i+OR+7bgp+OR+7jyc+OR+7jz0+OR+7qgi+OR+7jyy+OR+7bij+OR+5s20+OR+5s22+OR+5s18+OR+5s1k+OR+5s30+OR+5s1m+OR+5s32+OR+5s1o+OR+5s31+OR+5s34+OR+5s33+OR+5s1q+OR+5s1c+OR+5s1e+OR+5s1g+OR+7qif+OR+5s1i+OR+7dok+OR+5s1a+OR+5s24+OR+5s27+OR+5s26+OR+5s29+OR+5s28+OR+7doi+OR+5s2m+OR+5s2l+OR+7mbg+OR+5s2o+OR+5s41+OR+5s2n+OR+5s40+OR+5s43+OR+5s2q+OR+5s2p+OR+5s42+OR+5s2s+OR+5s45+OR+5s44+OR+5s2r+OR+7mbi+OR+5s2e+OR+7dpu+OR+5s2d+OR+7dpv+OR+5s2g+OR+5s2f+OR+5s2i+OR+5s2h+OR+5s2k+OR+5s2j+OR+7mc5+OR+7mc6+OR+5s2a+OR+5s2c+OR+5s2b+OR+7dpp+OR+5s36+OR+5s35+OR+5s1s+OR+5s38+OR+5s1u+OR+5s37+OR+5s1w+OR+5s39+OR+5s1y+OR+5s3n+OR+5s3m+OR+6vxs+OR+5s3p+OR+5s3o+OR+5s3r+OR+5s3q+OR+5s3t+OR+5s3s+OR+5s3f+OR+5s3e+OR+5s3h+OR+5s3g+OR+5s3j+OR+5s3i+OR+5s3l+OR+5s3k+OR+5s3b+OR+5s3a+OR+5s3d+OR+5s3c+OR+5s2u+OR+5s47+OR+5s2t+OR+5s46+OR+5s49+OR+5s2w+OR+6vww+OR+5s48+OR+5s2v+OR+5s2y+OR+7oft+OR+5s2x+OR+5s2z+OR+7ofs+OR+5s4g+OR+5s4f+OR+5s4i+OR+5s4h+OR+5s4k+OR+5s4j+OR+5s4a+OR+5s4c+OR+5s4b+OR+5s4e+OR+5s4d)+AND+molecule_sequence:%5B''+TO+*%5D+AND+status:REL&sort= +https://www.ebi.ac.uk/pdbe/search/pdb/select?wt=json&fl=pdb_id,title,experimental_method,resolution&rows=500&start=0&q=(7twn+OR+7two+OR+7cut+OR+7lfz+OR+7twh+OR+7twi+OR+7twf+OR+7cuu+OR+7twg+OR+7aqi+OR+6xaa+OR+7aqj+OR+5r8t+OR+7cwc+OR+7nn0+OR+7lhq+OR+7r2v+OR+7cwb+OR+6xbh+OR+6xbi+OR+7cx9+OR+5r7z+OR+6xbg+OR+8bsd+OR+7rw0+OR+7rw1+OR+7au4+OR+7a1u+OR+8d4j+OR+8d4k+OR+8d4n+OR+6xch+OR+8d4l+OR+8d4m+OR+7rvu+OR+7rvv+OR+7rvs+OR+7rvt+OR+7jfq+OR+7rvy+OR+7rvz+OR+7rvw+OR+7rvx+OR+7t8m+OR+7rvm+OR+7rvn+OR+7nng+OR+7rvq+OR+7t8r+OR+7rvr+OR+7rvo+OR+7rvp+OR+7c6u+OR+7c6s+OR+7cxn+OR+7cxm+OR+6xdh+OR+7cz4+OR+6m03+OR+7t9w+OR+7avd+OR+7lkt+OR+7lku+OR+7lkr+OR+7lks+OR+7t9y+OR+7c8b+OR+6xez+OR+8dz9+OR+8dz6+OR+7lkd+OR+6xg3+OR+7lke+OR+8dz0+OR+8dz1+OR+8dz2+OR+7cyq+OR+7c7p+OR+7n06+OR+5sa4+OR+8dza+OR+7jhe+OR+5sa6+OR+5sa5+OR+5sa8+OR+7p2o+OR+5sa7+OR+5sa9+OR+6xfn+OR+7ax6+OR+7c8t+OR+7c8u+OR+7p2g+OR+7lkx+OR+7lkv+OR+7lkw+OR+7c8r+OR+7jit+OR+7axm+OR+7jir+OR+5sab+OR+5saa+OR+6m0k+OR+7aww+OR+7lmc+OR+7ay7+OR+7awu+OR+7lmf+OR+6zm7+OR+7lmd+OR+7r7h+OR+7jib+OR+7lme+OR+7llz+OR+7aws+OR+7awr+OR+6zme+OR+7nt3+OR+7nt4+OR+7nt1+OR+7nt2+OR+7n0c+OR+7n0d+OR+6zn5+OR+7faz+OR+7n0b+OR+6xhu+OR+6zlw+OR+5sad+OR+5sac+OR+7jiv+OR+5saf+OR+7axo+OR+5sae+OR+7jiw+OR+5sah+OR+6xhm+OR+5sag+OR+7fay+OR+7rzc+OR+5sai+OR+7los+OR+7jkv+OR+6m2n+OR+6m2q+OR+7n33+OR+6zmt+OR+6xip+OR+6zmi+OR+5sbf+OR+6zmo+OR+7ntw+OR+7pxz+OR+7jlt+OR+7ntv+OR+6xkh+OR+6zoj+OR+6xkf+OR+7nts+OR+7ntt+OR+7jn2+OR+7n44+OR+7ntq+OR+6zp4+OR+7l14+OR+6zpe+OR+7nw2+OR+7l12+OR+7l13+OR+7l10+OR+7l11+OR+7jme+OR+7n3k+OR+7nuk+OR+6zon+OR+6zok+OR+8bzv+OR+6xkm+OR+7whc+OR+7jp0+OR+6m71+OR+7jp1+OR+6m5i+OR+7l0d+OR+7dav+OR+7dat+OR+7dau+OR+7nwx+OR+7n5z+OR+7joy+OR+7jq0+OR+7jq1+OR+7jq4+OR+7jq5+OR+7jq2+OR+7jq3+OR+7l1f+OR+7dcd+OR+6xmk+OR+7bb2+OR+7n89+OR+7jpy+OR+7jpz+OR+6zsl+OR+7n83+OR+7jr3+OR+6xoa+OR+7jr4+OR+7ltj+OR+7jpe+OR+7ltn+OR+7n6n+OR+7ddc+OR+6zrt+OR+6zru+OR+7nxh+OR+7n7y+OR+7dg6+OR+7n7r+OR+7lw4+OR+7sd9+OR+7lw3+OR+7bal+OR+6z2e+OR+7n7w+OR+7baj+OR+7bak+OR+7n7u+OR+7jqb+OR+7jqc+OR+7sdc+OR+7sda+OR+6xqb+OR+7jt7+OR+7dfg+OR+7jt0+OR+7jrn+OR+7dfh+OR+7n8c+OR+6xr3+OR+7be7+OR+7jst+OR+7ju7+OR+7jsu+OR+5sl7+OR+7sdr+OR+5sl6+OR+7dgb+OR+5sl9+OR+7sf3+OR+5sl8+OR+7dgh+OR+7dgi+OR+7dgf+OR+7dgg+OR+5sl1+OR+5sl0+OR+5sl3+OR+6xqu+OR+5sl2+OR+7sf1+OR+7l5d+OR+6xqs+OR+5sl5+OR+5sl4+OR+6xqt+OR+5slg+OR+7qbb+OR+7bf5+OR+5slf+OR+7bf6+OR+7sfb+OR+7bf3+OR+5sli+OR+7bf4+OR+5slh+OR+7sfh+OR+5slk+OR+7sfi+OR+6z72+OR+5slj+OR+5slm+OR+5sll+OR+7l6t+OR+6x1b+OR+5sla+OR+7l6r+OR+5slc+OR+5slb+OR+5sle+OR+5sld+OR+5sm8+OR+7set+OR+5sm7+OR+5skx+OR+5sm9+OR+5skw+OR+5skz+OR+7dhj+OR+5sky+OR+5sm0+OR+7wo1+OR+5sm2+OR+5sm1+OR+5sm4+OR+5sm3+OR+7wo3+OR+5sm6+OR+5sm5+OR+5smh+OR+5smg+OR+7woh+OR+5smi+OR+7qcg)+AND+molecule_sequence:%5B''+TO+*%5D+AND+status:REL&sort= diff --git a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt3_resp.txt b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt3_resp.txt index e457381..6d7a624 100644 --- a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt3_resp.txt +++ b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt3_resp.txt @@ -1,15 +1,20 @@ { "responseHeader":{ "status":0, - "QTime":4, + "QTime":5, "params":{ - "q":"(5sac OR 7jiv OR 5saf OR 7axo OR 5sae OR 7jiw OR 5sah OR 6xhm OR 5sag OR 7fay OR 7rzc OR 5sai OR 7los OR 7jkv OR 6m2n OR 6m2q OR 7n33 OR 6zmt OR 6xip OR 6zmi OR 5sbf OR 6zmo OR 7jlt OR 7ntv OR 6xkh OR 6zoj OR 6xkf OR 7nts OR 7jn2 OR 7n44 OR 6zp4 OR 7l14 OR 6zpe OR 7nw2 OR 7l12 OR 7l13 OR 7l10 OR 7l11 OR 7jme OR 7n3k OR 7nuk OR 6zon OR 6zok OR 6xkm OR 7jp0 OR 6m71 OR 7jp1 OR 6m5i OR 7l0d OR 7n5z OR 7joy OR 7jq0 OR 7jq1 OR 7jq4 OR 7jq5 OR 7jq2 OR 7jq3 OR 7l1f OR 7dcd OR 6xmk OR 7bb2 OR 7n89 OR 7jpy OR 7jpz OR 6zsl OR 7n83 OR 7jr3 OR 6xoa OR 7jr4 OR 7ltj OR 7jpe OR 7ltn OR 7n6n OR 7ddc OR 6zrt OR 6zru OR 7n7y OR 7dg6 OR 7n7r OR 7lw4 OR 7lw3 OR 7bal OR 6z2e OR 7n7w OR 7baj OR 7bak OR 7n7u OR 7jqb OR 7jqc OR 6xqb OR 7jt7 OR 7dfg OR 7jt0 OR 7jrn OR 7dfh OR 7n8c OR 6xr3 OR 7be7 OR 7jst OR 7ju7 OR 7jsu OR 5sl7 OR 5sl6 OR 5sl9 OR 5sl8 OR 5sl1 OR 5sl0 OR 5sl3 OR 6xqu OR 5sl2 OR 7l5d OR 6xqs OR 5sl5 OR 5sl4 OR 6xqt OR 5slg OR 7qbb OR 7bf5 OR 5slf OR 7bf6 OR 7bf3 OR 5sli OR 7bf4 OR 5slh OR 5slk OR 6z72 OR 5slj OR 5slm OR 5sll OR 7l6t OR 6x1b OR 5sla OR 7l6r OR 5slc OR 5slb OR 5sle OR 5sld OR 5sm8 OR 5sm7 OR 5skx OR 5sm9 OR 5skw OR 5skz OR 5sky OR 5sm0 OR 5sm2 OR 5sm1 OR 5sm4 OR 5sm3 OR 5sm6 OR 5sm5 OR 5smh OR 5smg OR 5smi OR 5smk OR 7diy OR 7dk1 OR 5smb OR 5sma OR 5smd OR 6z6i OR 5smc OR 7jw8 OR 5smf OR 5sme OR 5slw OR 5slv OR 5sly OR 5slx OR 5slz OR 7jun OR 5slo OR 6z5t OR 5sln OR 5slq OR 5slp OR 5sls OR 5slr OR 7lyh OR 5slu OR 7lyi OR 5slt OR 7lzw OR 7lzx OR 7lzu OR 7lzv OR 7jvz OR 7lzy OR 7djr OR 7lzz OR 7lzt OR 7si9 OR 7l8i OR 7bfb OR 7l8j OR 6x4i OR 7bgp OR 7jyc OR 7jz0 OR 7qgi OR 7jyy OR 7bij OR 5s20 OR 5s22 OR 5s18 OR 5s1k OR 5s30 OR 5s1m OR 5s32 OR 5s1o OR 5s31 OR 5s34 OR 5s33 OR 5s1q OR 5s1c OR 5s1e OR 5s1g OR 7qif OR 5s1i OR 7dok OR 5s1a OR 5s24 OR 5s27 OR 5s26 OR 5s29 OR 5s28 OR 7doi OR 5s2m OR 5s2l OR 7mbg OR 5s2o OR 5s41 OR 5s2n OR 5s40 OR 5s43 OR 5s2q OR 5s2p OR 5s42 OR 5s2s OR 5s45 OR 5s44 OR 5s2r OR 7mbi OR 5s2e OR 7dpu OR 5s2d OR 7dpv OR 5s2g OR 5s2f OR 5s2i OR 5s2h OR 5s2k OR 5s2j OR 7mc5 OR 7mc6 OR 5s2a OR 5s2c OR 5s2b OR 7dpp OR 5s36 OR 5s35 OR 5s1s OR 5s38 OR 5s1u OR 5s37 OR 5s1w OR 5s39 OR 5s1y OR 5s3n OR 5s3m OR 6vxs OR 5s3p OR 5s3o OR 5s3r OR 5s3q OR 5s3t OR 5s3s OR 5s3f OR 5s3e OR 5s3h OR 5s3g OR 5s3j OR 5s3i OR 5s3l OR 5s3k OR 5s3b OR 5s3a OR 5s3d OR 5s3c OR 5s2u OR 5s47 OR 5s2t OR 5s46 OR 5s49 OR 5s2w OR 6vww OR 5s48 OR 5s2v OR 5s2y OR 7oft OR 5s2x OR 5s2z OR 7ofs OR 5s4g OR 5s4f OR 5s4i OR 5s4h OR 5s4k OR 5s4j OR 5s4a OR 5s4c OR 5s4b OR 5s4e OR 5s4d) AND molecule_sequence:['' TO *] AND status:REL", + "q":"(7twn OR 7two OR 7cut OR 7lfz OR 7twh OR 7twi OR 7twf OR 7cuu OR 7twg OR 7aqi OR 6xaa OR 7aqj OR 5r8t OR 7cwc OR 7nn0 OR 7lhq OR 7r2v OR 7cwb OR 6xbh OR 6xbi OR 7cx9 OR 5r7z OR 6xbg OR 8bsd OR 7rw0 OR 7rw1 OR 7au4 OR 7a1u OR 8d4j OR 8d4k OR 8d4n OR 6xch OR 8d4l OR 8d4m OR 7rvu OR 7rvv OR 7rvs OR 7rvt OR 7jfq OR 7rvy OR 7rvz OR 7rvw OR 7rvx OR 7t8m OR 7rvm OR 7rvn OR 7nng OR 7rvq OR 7t8r OR 7rvr OR 7rvo OR 7rvp OR 7c6u OR 7c6s OR 7cxn OR 7cxm OR 6xdh OR 7cz4 OR 6m03 OR 7t9w OR 7avd OR 7lkt OR 7lku OR 7lkr OR 7lks OR 7t9y OR 7c8b OR 6xez OR 8dz9 OR 8dz6 OR 7lkd OR 6xg3 OR 7lke OR 8dz0 OR 8dz1 OR 8dz2 OR 7cyq OR 7c7p OR 7n06 OR 5sa4 OR 8dza OR 7jhe OR 5sa6 OR 5sa5 OR 5sa8 OR 7p2o OR 5sa7 OR 5sa9 OR 6xfn OR 7ax6 OR 7c8t OR 7c8u OR 7p2g OR 7lkx OR 7lkv OR 7lkw OR 7c8r OR 7jit OR 7axm OR 7jir OR 5sab OR 5saa OR 6m0k OR 7aww OR 7lmc OR 7ay7 OR 7awu OR 7lmf OR 6zm7 OR 7lmd OR 7r7h OR 7jib OR 7lme OR 7llz OR 7aws OR 7awr OR 6zme OR 7nt3 OR 7nt4 OR 7nt1 OR 7nt2 OR 7n0c OR 7n0d OR 6zn5 OR 7faz OR 7n0b OR 6xhu OR 6zlw OR 5sad OR 5sac OR 7jiv OR 5saf OR 7axo OR 5sae OR 7jiw OR 5sah OR 6xhm OR 5sag OR 7fay OR 7rzc OR 5sai OR 7los OR 7jkv OR 6m2n OR 6m2q OR 7n33 OR 6zmt OR 6xip OR 6zmi OR 5sbf OR 6zmo OR 7ntw OR 7pxz OR 7jlt OR 7ntv OR 6xkh OR 6zoj OR 6xkf OR 7nts OR 7ntt OR 7jn2 OR 7n44 OR 7ntq OR 6zp4 OR 7l14 OR 6zpe OR 7nw2 OR 7l12 OR 7l13 OR 7l10 OR 7l11 OR 7jme OR 7n3k OR 7nuk OR 6zon OR 6zok OR 8bzv OR 6xkm OR 7whc OR 7jp0 OR 6m71 OR 7jp1 OR 6m5i OR 7l0d OR 7dav OR 7dat OR 7dau OR 7nwx OR 7n5z OR 7joy OR 7jq0 OR 7jq1 OR 7jq4 OR 7jq5 OR 7jq2 OR 7jq3 OR 7l1f OR 7dcd OR 6xmk OR 7bb2 OR 7n89 OR 7jpy OR 7jpz OR 6zsl OR 7n83 OR 7jr3 OR 6xoa OR 7jr4 OR 7ltj OR 7jpe OR 7ltn OR 7n6n OR 7ddc OR 6zrt OR 6zru OR 7nxh OR 7n7y OR 7dg6 OR 7n7r OR 7lw4 OR 7sd9 OR 7lw3 OR 7bal OR 6z2e OR 7n7w OR 7baj OR 7bak OR 7n7u OR 7jqb OR 7jqc OR 7sdc OR 7sda OR 6xqb OR 7jt7 OR 7dfg OR 7jt0 OR 7jrn OR 7dfh OR 7n8c OR 6xr3 OR 7be7 OR 7jst OR 7ju7 OR 7jsu OR 5sl7 OR 7sdr OR 5sl6 OR 7dgb OR 5sl9 OR 7sf3 OR 5sl8 OR 7dgh OR 7dgi OR 7dgf OR 7dgg OR 5sl1 OR 5sl0 OR 5sl3 OR 6xqu OR 5sl2 OR 7sf1 OR 7l5d OR 6xqs OR 5sl5 OR 5sl4 OR 6xqt OR 5slg OR 7qbb OR 7bf5 OR 5slf OR 7bf6 OR 7sfb OR 7bf3 OR 5sli OR 7bf4 OR 5slh OR 7sfh OR 5slk OR 7sfi OR 6z72 OR 5slj OR 5slm OR 5sll OR 7l6t OR 6x1b OR 5sla OR 7l6r OR 5slc OR 5slb OR 5sle OR 5sld OR 5sm8 OR 7set OR 5sm7 OR 5skx OR 5sm9 OR 5skw OR 5skz OR 7dhj OR 5sky OR 5sm0 OR 7wo1 OR 5sm2 OR 5sm1 OR 5sm4 OR 5sm3 OR 7wo3 OR 5sm6 OR 5sm5 OR 5smh OR 5smg OR 7woh OR 5smi OR 7qcg) AND molecule_sequence:['' TO *] AND status:REL", "fl":"pdb_id,title,experimental_method,resolution", "start":"0", "sort":"", "rows":"500", "wt":"json"}}, - "response":{"numFound":791,"start":0,"docs":[ + "response":{"numFound":1070,"start":0,"docs":[ + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7n06", + "resolution":2.2, + "title":"SARS-CoV-2 Nsp15 endoribonuclease post-cleavage state"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7n33", @@ -17,9 +22,9 @@ "title":"SARS-CoV-2 Nsp15 endoribonuclease pre-cleavage state"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7n89", - "resolution":2.0, - "title":"Room-temperature X-ray structure of SARS-CoV-2 main protease C145A mutant in complex with substrate Ac-SAVLQSGF-CONH2"}, + "pdb_id":"6xch", + "resolution":2.2, + "title":"Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Leupeptin"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6x1b", @@ -27,84 +32,119 @@ "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with the Product Nucleotide GpU."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dg6", - "resolution":2.4, - "title":"Structure of SARS-Cov2-Mpro-1-302"}, + "pdb_id":"7c8b", + "resolution":2.2, + "title":"Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jvz", - "resolution":2.5, - "title":"SARS CoV-2 MAIN PROTEASE 3CLpro, ROOM TEMPERATURE, DAMAGE FREE XFEL MONOCLINIC STRUCTURE"}, + "pdb_id":"7t9y", + "resolution":2.18, + "title":"Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 8/9"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jr3", - "resolution":1.55, - "title":"SARS-CoV-2 3CL protease crystallized under reducing conditions"}, + "pdb_id":"6xfn", + "resolution":1.7, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7ddc", - "resolution":2.175, - "title":"Crystal structure of SARS-CoV-2 main protease in complex with Tafenoquine"}, + "pdb_id":"6xbh", + "resolution":1.6, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xr3", - "resolution":1.45, - "title":"X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A"}, + "pdb_id":"7t8r", + "resolution":1.74, + "title":"Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 7/8"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xqu", - "resolution":2.2, - "title":"Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Boceprevir"}, + "pdb_id":"6xbg", + "resolution":1.45, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7n0b", + "resolution":3.9, + "title":"Cryo-EM structure of SARS-CoV-2 nsp10-nsp14 (WT)-RNA complex"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7n0c", + "resolution":3.4, + "title":"Cryo-EM structure of the monomeric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7n0c", + "resolution":3.4, + "title":"Cryo-EM structure of the monomeric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7l1f", + "resolution":3.89, + "title":"SARS-CoV-2 RdRp in complex with 4 Remdesivir monophosphate"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7l1f", + "resolution":3.89, + "title":"SARS-CoV-2 RdRp in complex with 4 Remdesivir monophosphate"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xoa", - "resolution":2.1, - "title":"The crystal structure of 3CL MainPro of SARS-CoV-2 with C145S mutation"}, + "pdb_id":"7wo3", + "resolution":2.01, + "title":"SARS-CoV-2 3CLpro"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xqt", - "resolution":2.3, - "title":"Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Narlaprevir"}, + "pdb_id":"7dg6", + "resolution":2.4, + "title":"Structure of SARS-Cov2-Mpro-1-302"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xqs", - "resolution":1.9, - "title":"Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Telaprevir"}, + "pdb_id":"7woh", + "resolution":1.72, + "title":"SARS-CoV-2 3CLpro"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7n0b", + "resolution":3.9, + "title":"Cryo-EM structure of SARS-CoV-2 nsp10-nsp14 (WT)-RNA complex"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7joy", - "resolution":2.0, - "title":"Product structure of SARS-CoV-2 Mpro C145A mutant in complex with its C-terminal autoprocessing sequence."}, + "pdb_id":"7cut", + "resolution":1.82, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with Z-VAD-FMK"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jt7", - "resolution":1.94, - "title":"Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4"}, + "pdb_id":"7t8m", + "resolution":1.6, + "title":"Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 5/6"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6xqb", + "resolution":3.4, + "title":"SARS-CoV-2 RdRp/RNA complex"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7n7u", - "resolution":2.06, - "title":"Crystal Structure of SARS-CoV-2 NendoU in complex with LIZA-7"}, + "pdb_id":"7r7h", + "resolution":2.15, + "title":"Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7bal", - "resolution":1.85, - "title":"Crystal structure of SARS-CoV-2 main protease treated with ebselen derivative of MR6-31-2"}, + "pdb_id":"7twi", + "resolution":1.1, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 539 kGy)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7fay", - "resolution":2.1, - "title":"Crystal structure of SARS-CoV-2 main protease in complex with (R)-1a"}, + "pdb_id":"7twg", + "resolution":1.1, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 153 kGy)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7l8j", - "resolution":2.45, - "title":"SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21212)"}, + "pdb_id":"7twh", + "resolution":1.1, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 290 kGy)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jst", - "resolution":1.85, - "title":"Crystal structure of SARS-CoV-2 3CL in apo form"}, + "pdb_id":"7wo1", + "resolution":2.15, + "title":"Discovery of SARS-CoV-2 3CLpro peptidomimetic inhibitors through H41-specific protein-ligand interactions"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7baj", @@ -117,723 +157,672 @@ "title":"Structure of wild-type substrate free SARS-CoV-2 Mpro."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7l0d", - "resolution":2.39, - "title":"SARS-CoV-2 Main Protease (Mpro) in Complex with ML188"}, + "pdb_id":"7ddc", + "resolution":2.175, + "title":"Crystal structure of SARS-CoV-2 main protease in complex with Tafenoquine"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7bak", - "resolution":2.05, - "title":"Crystal structure of SARS-CoV-2 main protease treated with ebselen"}, + "pdb_id":"7jr3", + "resolution":1.55, + "title":"SARS-CoV-2 3CL protease crystallized under reducing conditions"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7l8i", - "resolution":2.1, - "title":"SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21)"}, + "pdb_id":"7lke", + "resolution":2.69, + "title":"X-ray crystal structure of the SARS-CoV-2 main protease in space group C2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s20", - "resolution":1.037, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with PB1827975385"}, + "pdb_id":"7lkd", + "resolution":2.01, + "title":"X-ray crystal structure of the SARS-CoV-2 main protease in space group P21."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s1w", - "resolution":1.135, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z838838708"}, + "pdb_id":"7twf", + "resolution":1.1, + "title":"Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 73 kGy)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2a", - "resolution":1.08, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1263529624"}, + "pdb_id":"7sda", + "resolution":1.85, + "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI49"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s1g", - "resolution":1.11, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-108952"}, + "pdb_id":"7nxh", + "resolution":2.1, + "title":"Structure of SARS-CoV2 NSP5 (3C-like proteinase) determined in-house"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s1s", - "resolution":1.16, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1613477500"}, + "pdb_id":"7sdc", + "resolution":1.85, + "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor MI-09"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s1k", - "resolution":1.076, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-105873"}, + "pdb_id":"7sd9", + "resolution":1.85, + "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI48"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5s1m", - "resolution":1.184, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STK497968"}, + "experimental_method":["Solution NMR"], + "pdb_id":"7p2o", + "title":"NMR solution structure of SUD-C domain of SARS-CoV-2"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5s1q", - "resolution":1.127, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-17035"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7n0d", + "resolution":2.5, + "title":"Cryo-EM structure of the tetrameric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s1a", - "resolution":1.079, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-43406"}, + "pdb_id":"6xbi", + "resolution":1.7, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5s1y", - "resolution":1.091, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STK346965"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7n0d", + "resolution":2.5, + "title":"Cryo-EM structure of the tetrameric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7n0d", + "resolution":2.5, + "title":"Cryo-EM structure of the tetrameric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2c", - "resolution":1.092, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z45612755"}, + "pdb_id":"7joy", + "resolution":2.0, + "title":"Product structure of SARS-CoV-2 Mpro C145A mutant in complex with its C-terminal autoprocessing sequence."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s29", - "resolution":1.3, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z199959602"}, + "pdb_id":"7jt7", + "resolution":1.94, + "title":"Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s26", - "resolution":1.125, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z605596346"}, + "pdb_id":"6xqs", + "resolution":1.9, + "title":"Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Telaprevir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s28", - "resolution":1.09, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z409974522"}, + "pdb_id":"6xqu", + "resolution":2.2, + "title":"Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Boceprevir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2b", - "resolution":1.11, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z373769142"}, + "pdb_id":"7c6s", + "resolution":1.6, + "title":"Crystal structure of the SARS-CoV-2 main protease complexed with Boceprevir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s22", - "resolution":1.175, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z145120524"}, + "pdb_id":"7bak", + "resolution":2.05, + "title":"Crystal structure of SARS-CoV-2 main protease treated with ebselen"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s27", - "resolution":1.126, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1262398530"}, + "pdb_id":"7l0d", + "resolution":2.39, + "title":"SARS-CoV-2 Main Protease (Mpro) in Complex with ML188"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s24", - "resolution":1.14, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-697611"}, + "pdb_id":"7faz", + "resolution":2.1, + "title":"Crystal structure of the SARS-CoV-2 main protease in complex with Y180"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7l1f", - "resolution":3.89, - "title":"SARS-CoV-2 RdRp in complex with 4 Remdesivir monophosphate"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7fay", + "resolution":2.1, + "title":"Crystal structure of SARS-CoV-2 main protease in complex with (R)-1a"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7l1f", - "resolution":3.89, - "title":"SARS-CoV-2 RdRp in complex with 4 Remdesivir monophosphate"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7jst", + "resolution":1.85, + "title":"Crystal structure of SARS-CoV-2 3CL in apo form"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6xqb", - "resolution":3.4, - "title":"SARS-CoV-2 RdRp/RNA complex"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7dgf", + "resolution":1.639, + "title":"The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)hexanamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6z5t", - "resolution":1.571, - "title":"SARS-CoV-2 Macrodomain in complex with ADP-ribose"}, + "pdb_id":"7dgh", + "resolution":1.968, + "title":"The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-2-naphthamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xmk", - "resolution":1.7, - "title":"1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 7j"}, + "pdb_id":"7dav", + "resolution":1.77, + "title":"The native crystal structure of COVID-19 main protease"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6m2q", - "resolution":1.7, - "title":"SARS-CoV-2 3CL protease (3CL pro) apo structure (space group C21)"}, + "pdb_id":"7dgg", + "resolution":2.004, + "title":"The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jq4", - "resolution":1.65, - "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI7"}, + "pdb_id":"7dgi", + "resolution":1.898, + "title":"The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jq3", - "resolution":2.1, - "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI6"}, + "pdb_id":"7dgb", + "resolution":1.678, + "title":"The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-4-methyl-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pentanamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jq1", - "resolution":1.65, - "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI4"}, + "pdb_id":"6xoa", + "resolution":2.1, + "title":"The crystal structure of 3CL MainPro of SARS-CoV-2 with C145S mutation"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jq0", - "resolution":1.65, - "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI3"}, + "pdb_id":"6xhu", + "resolution":1.8, + "title":"Room temperature X-ray crystallography reveals oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: Insights for enzyme mechanism and drug design"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7n44", - "resolution":1.94, - "title":"Crystal structure of the SARS-CoV-2 (2019-NCoV) main protease in complex with 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione (compound 13)"}, + "pdb_id":"6xr3", + "resolution":1.45, + "title":"X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7n5z", - "resolution":1.76, - "title":"SARS-CoV-2 Main protease C145S mutant"}, + "pdb_id":"6xqt", + "resolution":2.3, + "title":"Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Narlaprevir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7n3k", - "resolution":3.0, - "title":"Oridonin-bound SARS-CoV-2 Nsp9"}, + "pdb_id":"7lmf", + "resolution":2.2, + "title":"SARS-CoV-2 3CLPro in complex with 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-4-yl)phenyl]-N-(3-thienylmethyl)acetamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7n7w", - "resolution":2.42, - "title":"Crystal Structure of SARS-CoV-2 NendoU in complex with CSC000178569"}, + "pdb_id":"7lmd", + "resolution":1.96, + "title":"SARS-CoV-2 3CLPro in complex with 2-(benzotriazol-1-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-N-(3-thienylmethyl)acetamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7djr", - "resolution":1.45, - "title":"Crystal structure of SARS-CoV-2 main protease (no ligand)"}, + "pdb_id":"7bal", + "resolution":1.85, + "title":"Crystal structure of SARS-CoV-2 main protease treated with ebselen derivative of MR6-31-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jq5", - "resolution":1.9, - "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8"}, + "pdb_id":"7n7u", + "resolution":2.06, + "title":"Crystal Structure of SARS-CoV-2 NendoU in complex with LIZA-7"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jt0", - "resolution":1.73, - "title":"Crystal structure of SARS-CoV-2 3CL protease in complex with MAC5576"}, + "pdb_id":"7lme", + "resolution":2.1, + "title":"SARS-CoV-2 3CLPro in complex with N-[4-[[2-(benzotriazol-1-yl)acetyl]-(3-thienylmethyl)amino]phenyl]cyclopropanecarboxamide"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7n7y", "resolution":2.09, "title":"Crystal Structure of SARS-CoV-2 NendoU in complex with Z18197050"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7ltn", - "resolution":1.79, - "title":"Crystal structure of Mpro in complex with inhibitor CDD-1713"}, + "experimental_method":["Solution NMR"], + "pdb_id":"7lhq", + "title":"Solution structure of SARS-CoV-2 nonstructural protein 7 at pH 7.0"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mbi", - "resolution":2.15, - "title":"Structure of SARS-CoV2 3CL protease covalently bound to peptidomimetic inhibitor"}, + "pdb_id":"8d4l", + "resolution":1.7, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7lzz", - "resolution":2.0, - "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 5c"}, + "pdb_id":"7p2g", + "resolution":2.5, + "title":"Identification of low micromolar SARS-CoV-2 Mpro inhibitors from hits identified by in silico screens"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7lzy", - "resolution":1.85, - "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c"}, + "pdb_id":"7n5z", + "resolution":1.76, + "title":"SARS-CoV-2 Main protease C145S mutant"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jw8", - "resolution":1.84, - "title":"Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 in space group P1"}, + "pdb_id":"7n7r", + "resolution":2.01, + "title":"Crystal Structure of SARS-CoV-2 NendoU in complex with Z2472938267"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7bf6", - "resolution":2.15, - "title":"Crystal structure of SARS-CoV-2 macrodomain in complex with remdesivir metabolite GS-441524"}, + "pdb_id":"7n7w", + "resolution":2.42, + "title":"Crystal Structure of SARS-CoV-2 NendoU in complex with CSC000178569"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jpz", - "resolution":1.6, - "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1"}, + "pdb_id":"8d4n", + "resolution":2.7, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166Q Mutant"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jq2", - "resolution":1.4, - "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5"}, + "pdb_id":"7whc", + "resolution":2.269, + "title":"Crystal structure of SARS-CoV-2 3CLpro catalytic domain"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7l11", - "resolution":1.8, - "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 5"}, + "pdb_id":"7n89", + "resolution":2.0, + "title":"Room-temperature X-ray structure of SARS-CoV-2 main protease C145A mutant in complex with substrate Ac-SAVLQSGF-CONH2"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7dpv", - "resolution":2.35, - "title":"SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7cxm", + "resolution":2.9, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7bfb", - "resolution":2.05, - "title":"Crystal structure of ebselen covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2."}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7bf4", - "resolution":1.55, - "title":"Crystal structure of SARS-CoV-2 macrodomain in complex with GMP"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7cxm", + "resolution":2.9, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7jpy", - "resolution":1.6, - "title":"Crystal structure of the SARS-CoV-2 main protease in its apo-form"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7cxm", + "resolution":2.9, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7jp0", - "resolution":1.65, - "title":"Crystal structure of Mpro with inhibitor r1"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7cxn", + "resolution":3.84, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, { - "experimental_method":["X-ray diffraction", - "Neutron Diffraction", - "Hybrid"], - "pdb_id":"7jun", - "resolution":2.3, - "title":"Joint neutron/X-ray structure of SARS-CoV-2 3CL Mpro at room temperature"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7cxn", + "resolution":3.84, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7jsu", - "resolution":1.83, - "title":"Crystal structure of SARS-CoV-2 3CL protease in complex with GC376"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7cxn", + "resolution":3.84, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7n7r", - "resolution":2.01, - "title":"Crystal Structure of SARS-CoV-2 NendoU in complex with Z2472938267"}, + "pdb_id":"7rvz", + "resolution":1.9, + "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI26"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7l10", - "resolution":1.63, - "title":"CRYSTAL STRUCTURE OF THE SARS-COV-2 (2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 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"pdb_id":"5slg", - "resolution":1.97, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32400357"}, + "pdb_id":"5sm4", + "resolution":2.16, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434944"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5smc", - "resolution":2.19, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2033637875"}, + "pdb_id":"5sa6", + "resolution":2.517, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z2856434783"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5slk", - "resolution":2.21, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1354370680"}, + "pdb_id":"5smh", + "resolution":2.64, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434938"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5smi", - "resolution":2.08, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z71580604"}, + "pdb_id":"5sa8", + "resolution":2.298, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z68299550"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5slb", - "resolution":1.8, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z744930860"}, + "pdb_id":"5sad", + "resolution":1.961, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z425449682"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sm1", - "resolution":1.941, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z68277692"}, + "pdb_id":"5sm3", + "resolution":2.198, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z943693514"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5skz", - "resolution":1.96, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57258487"}, + "pdb_id":"5sl0", + "resolution":2.001, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57260516"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sm7", + "pdb_id":"5sm5", "resolution":1.95, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1247413608"}, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434807"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sl1", - "resolution":2.383, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1273312153"}, + "pdb_id":"5sa7", + "resolution":2.222, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z1673618163"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sm6", - "resolution":2.29, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1899842917"}, + "pdb_id":"5sah", + "resolution":2.16, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with EN300-100112"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5slx", - "resolution":1.76, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z752989138"}, + "pdb_id":"7rvy", + "resolution":1.85, + "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI25"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5slz", - "resolution":2.54, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2072621991"}, + "pdb_id":"7bf4", + "resolution":1.55, + "title":"Crystal structure of SARS-CoV-2 macrodomain in complex with GMP"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5slc", - "resolution":1.668, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1849009686"}, + "pdb_id":"7ltn", + "resolution":1.79, + "title":"Crystal structure of Mpro in complex with inhibitor CDD-1713"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sm0", - "resolution":2.086, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32665176"}, + "pdb_id":"7lks", + "resolution":1.7, + "title":"1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2f"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sbf", - "resolution":1.64, - "title":"PanDDA analysis group deposition of ground-state model of SARS-CoV-2 NendoU"}, + "pdb_id":"7bf6", + "resolution":2.15, + "title":"Crystal structure of SARS-CoV-2 macrodomain in complex with remdesivir metabolite GS-441524"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sl8", - "resolution":2.07, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434762"}, + "pdb_id":"7lkv", + "resolution":1.55, + "title":"1.55 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5slm", + "pdb_id":"7c8t", "resolution":2.05, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z28290384"}, + "title":"Complex Structure of SARS-CoV-2 3CL Protease with TG-0205221"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sle", - "resolution":2.009, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z56880342"}, + "pdb_id":"7set", + "resolution":1.7, + "title":"SARS-CoV-2 Main Protease (Mpro) in Complex with ML1000"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sma", - "resolution":2.011, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434890"}, + "pdb_id":"7sfh", + "resolution":1.4, + "title":"SARS-CoV-2 Main Protease (Mpro) in Complex with ML102"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5slr", - "resolution":1.86, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2073741691"}, + "pdb_id":"7nwx", + "resolution":1.8, + "title":"SARS-COV2 NSP5 in the presence of Zn2+"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sla", - "resolution":1.7, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003207278"}, + "pdb_id":"7n3k", + "resolution":3.0, + "title":"Oridonin-bound SARS-CoV-2 Nsp9"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sl2", - "resolution":1.739, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z100643660"}, + "pdb_id":"7n44", + "resolution":1.94, + "title":"Crystal structure of the SARS-CoV-2 (2019-NCoV) main protease in complex with 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione (compound 13)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sl5", - "resolution":2.36, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32014663"}, + "pdb_id":"7ntt", + "resolution":1.743, + "title":"Crystal structure of the SARS-CoV-2 Main Protease"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sly", - "resolution":2.018, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1526504764"}, + "pdb_id":"7sf3", + "resolution":1.75, + "title":"SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006m"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5smf", - "resolution":2.011, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z56791867"}, + "pdb_id":"8d4k", + "resolution":1.89, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant in Complex with Inhibitor GC376"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5skx", - "resolution":2.342, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z126932614"}, + "pdb_id":"8d4m", + "resolution":1.81, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant in Complex with Inhibitor GC376"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sm8", - "resolution":1.95, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2027158783"}, + "pdb_id":"7sf1", + "resolution":1.85, + "title":"SARS-CoV-2 Main Protease (Mpro) in Complex with ML1001"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5sl4", - "resolution":1.936, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z383202616"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7dfg", + "resolution":2.7, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5smd", - "resolution":1.826, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z274575916"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7dfg", + "resolution":2.7, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"5s1c", - "resolution":1.174, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z3034471507"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"7dfh", + "resolution":2.97, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7dfh", + "resolution":2.97, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5slp", - "resolution":1.819, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z373768898"}, + "pdb_id":"7lmc", + "resolution":2.977, + "title":"Structure of SARS CoV-2 main protease shows simultaneous processing of its N- and C-terminii"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6m5i", @@ -846,9 +835,9 @@ "title":"Crystal structure of 2019-nCoV nsp7-nsp8c complex"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6z72", - "resolution":2.3, - "title":"SARS-CoV-2 Macrodomain in complex with ADP-HPM"}, + "pdb_id":"7jkv", + "resolution":1.25, + "title":"Crystal Structure of SARS-CoV-2 main protease in complex with an inhibitor GRL-2420"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6z2e", @@ -856,559 +845,561 @@ "title":"Crystal structure of SARS-CoV-2 Mpro in complex with the activity-based probe, biotin-PEG(4)-Abu-Tle-Leu-Gln-vinylsulfone"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6zru", - "resolution":2.1, - "title":"Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir"}, + "pdb_id":"6z72", + "resolution":2.3, + "title":"SARS-CoV-2 Macrodomain in complex with ADP-HPM"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6vxs", - "resolution":2.03, - "title":"Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2"}, + "pdb_id":"6xhm", + "resolution":1.406, + "title":"Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xkf", - "resolution":1.8, - "title":"The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine)."}, + "pdb_id":"7bf5", + "resolution":2.05, + "title":"Crystal structure of SARS-CoV-2 macrodomain in complex with ADP-ribose-phosphate (ADP-ribose-2'-phosphate, ADPRP)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jrn", - "resolution":2.48, - "title":"Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617"}, + "pdb_id":"6m2n", + "resolution":2.198, + "title":"SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dpu", - "resolution":1.75, - "title":"SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin"}, + "pdb_id":"7jr4", + "resolution":1.55, + "title":"SARS-CoV-2 3CL protease with alternative conformation of the active site promoted by methylene-bridged cysteine and lysine residues"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7bgp", - "resolution":1.68, - "title":"Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in absence of DTT."}, + "pdb_id":"7jme", + "resolution":1.55, + "title":"Structure of the SARS-CoV-2 NSP3 Macro X domain in complex with cyclic AMP"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7los", - "resolution":2.9, - "title":"SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-65"}, + "pdb_id":"7cwc", + "resolution":2.1, + "title":"Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 2.1 A Resolution (P212121)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7lyi", + "pdb_id":"7cwb", "resolution":1.9, - "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7mbg", - "resolution":1.86, - "title":"SARS-CoV-2 Main protease in orthorhombic space group"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7rzc", - "resolution":2.04, - "title":"Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7bb2", - "resolution":1.6, - "title":"Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.6A resolution (spacegroup P2(1)2(1)2(1))"}, + "title":"Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 1.9 A Resolution (C121)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6zrt", - "resolution":2.1, - "title":"Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7bf5", - "resolution":2.05, - "title":"Crystal structure of SARS-CoV-2 macrodomain in complex with ADP-ribose-phosphate (ADP-ribose-2'-phosphate, ADPRP)"}, + "pdb_id":"6xkf", + "resolution":1.8, + "title":"The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine)."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s1e", - "resolution":1.172, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with AB-601_30915014"}, + "pdb_id":"7lkr", + "resolution":1.65, + "title":"1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2a"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s1u", - "resolution":1.08, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-52144"}, + "pdb_id":"7lku", + "resolution":1.65, + "title":"1.65 A 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deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-301084"}, + "pdb_id":"5smi", + "resolution":2.08, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z71580604"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sae", - "resolution":2.12, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z3219959731"}, + "pdb_id":"5smg", + "resolution":1.87, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2092370954"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5sac", - "resolution":2.029, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z59181945"}, + "pdb_id":"5sl2", + "resolution":1.739, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z100643660"}, { "experimental_method":["X-ray 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analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z744930860"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7n89", - "resolution":2.0, - "title":"Room-temperature X-ray structure of SARS-CoV-2 main protease C145A mutant in complex with substrate Ac-SAVLQSGF-CONH2"}, + "pdb_id":"5sl8", + "resolution":2.07, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434762"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dcd", - "resolution":2.57, - "title":"Nonstructural protein 7 and 8 complex of SARS-CoV-2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7doi", - "resolution":2.6, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir."}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7doi", - "resolution":2.6, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir."}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7dfg", - "resolution":2.7, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir"}, + "pdb_id":"5slf", + "resolution":2.01, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z198195770"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7dfg", - "resolution":2.7, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5sbf", + "resolution":1.64, + "title":"PanDDA analysis group deposition of ground-state model of SARS-CoV-2 NendoU"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6z6i", - "resolution":2.0, - "title":"SARS-CoV-2 Macrodomain in complex with ADP-HPD"}, + "pdb_id":"5slk", + "resolution":2.21, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1354370680"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6zsl", - "resolution":1.94, - "title":"Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution"}, + "pdb_id":"5slm", + "resolution":2.05, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z28290384"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6x4i", - "resolution":1.85, - "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with 3'-uridinemonophosphate"}, + "pdb_id":"5slc", + "resolution":1.668, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1849009686"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7bf3", - "resolution":2.0, - "title":"Crystal structure of SARS-CoV-2 macrodomain in complex with adenosine"}, + "pdb_id":"5sl3", + "resolution":1.99, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z223688272"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7bij", - "resolution":1.47, - "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 13"}, + "pdb_id":"5sky", + "resolution":2.25, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z466628048"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nw2", - "resolution":2.1, - "title":"Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47"}, + "pdb_id":"5sl1", + "resolution":2.383, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1273312153"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7qbb", - "resolution":2.0, - "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 18"}, + "pdb_id":"5sl9", + "resolution":1.749, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z54571979"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jiw", - "resolution":2.3, - "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530 inhibitor"}, + "pdb_id":"5sla", + "resolution":1.7, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003207278"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jn2", - "resolution":1.93, - "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder441 inhibitor"}, + "pdb_id":"5skw", + "resolution":2.093, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1272494722"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7ntv", - "resolution":2.065, - "title":"Crystal structure of SARS CoV2 main protease in complex with DN_EG_002 (modelled using PanDDA event map)"}, + "pdb_id":"5slj", + "resolution":2.31, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1430613393"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jyc", - "resolution":1.79, - "title":"Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir"}, + "pdb_id":"5sll", + "resolution":1.807, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z54615640"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6zpe", - "resolution":1.58, - "title":"Nonstructural protein 10 (nsp10) from SARS CoV-2"}, + "pdb_id":"5sm6", + "resolution":2.29, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1899842917"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nuk", - "resolution":2.19, - "title":"Crystal structure of SARS CoV2 main protease in complex with EG009 (modelled using PanDDA event map)"}, + "pdb_id":"5slh", + "resolution":1.819, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z65532537"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7be7", - "resolution":1.68, - "title":"Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2."}, + "pdb_id":"5sm0", + "resolution":2.086, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32665176"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5sl5", + "resolution":2.36, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32014663"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2t", - "resolution":1.108, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z26781964"}, + "pdb_id":"5sm1", + "resolution":1.941, + "title":"PanDDA analysis group 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"pdb_id":"5s35", - "resolution":1.099, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z68404778"}, + "pdb_id":"5sm8", + "resolution":1.95, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2027158783"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2d", - "resolution":1.06, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z369936976"}, + "pdb_id":"5sli", + "resolution":2.3, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003146540"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3o", - "resolution":1.188, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z102768020"}, + "pdb_id":"5skx", + "resolution":2.342, + "title":"PanDDA analysis group deposition -- Crystal 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analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0013"}, + "pdb_id":"7n83", + "resolution":1.91, + "title":"Crystal Structure of SARS-CoV-2 NendoU in complex with Z2443429438"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s33", - "resolution":1.06, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z906021418"}, + "pdb_id":"7c8u", + "resolution":2.35, + "title":"The crystal structure of COVID-19 main protease in complex with GC376"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2o", - "resolution":1.091, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z645232558"}, + "pdb_id":"7sfi", + "resolution":1.95, + "title":"SARS-CoV-2 Main Protease (Mpro) in Complex with ML104"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2k", - "resolution":1.097, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z445856640"}, + "pdb_id":"7sfb", + "resolution":1.9, + "title":"SARS-CoV-2 Main Protease (Mpro) in Complex with ML101"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s4f", - "resolution":1.131, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF003"}, + "pdb_id":"8d4j", + "resolution":1.78, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s44", - "resolution":1.059, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00024890"}, + "pdb_id":"8dz0", + "resolution":2.29, + "title":"Crystal Structure of SARS-CoV-2 Main protease in complex with Ensitrelvir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s37", - "resolution":1.22, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1954800564"}, + "pdb_id":"8dz2", + "resolution":2.129, + "title":"Crystal Structure of SARS-CoV-2 Main protease in complex with Nirmatrelvir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3l", - "resolution":1.091, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z54628578"}, + "pdb_id":"7lfz", + "resolution":1.9, + "title":"Human leukocyte antigen B*07:02 in complex with SARS-CoV2 epitope IPRRNVATL"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6xez", + "resolution":3.5, + "title":"Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6xez", + "resolution":3.5, + "title":"Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2h", - "resolution":1.068, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434920"}, + "pdb_id":"7jlt", + "resolution":2.7, + "title":"Crystal Structure of SARS-CoV-2 NSP7-NSP8 complex."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3p", - "resolution":1.1, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1238477790"}, + "pdb_id":"7jlt", + "resolution":2.7, + "title":"Crystal Structure of SARS-CoV-2 NSP7-NSP8 complex."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s38", - "resolution":1.072, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1745658474"}, + "pdb_id":"6xch", + "resolution":2.2, + "title":"Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Leupeptin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s4j", - "resolution":1.124, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054"}, + "pdb_id":"7dcd", + "resolution":2.57, + "title":"Nonstructural protein 7 and 8 complex of SARS-CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2s", - "resolution":1.104, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434894"}, + "pdb_id":"7dcd", + "resolution":2.57, + "title":"Nonstructural protein 7 and 8 complex of SARS-CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2m", - "resolution":1.136, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z56827661"}, + "pdb_id":"7n89", + "resolution":2.0, + "title":"Room-temperature X-ray structure of SARS-CoV-2 main protease C145A mutant in complex with substrate 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"pdb_id":"7cyq", + "resolution":2.83, + "title":"Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3m", - "resolution":1.26, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z45656995"}, + "pdb_id":"7rvn", + "resolution":1.63, + "title":"Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2j", - "resolution":1.111, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z509756472"}, + "pdb_id":"7rzc", + "resolution":2.04, + "title":"Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2x", - "resolution":1.06, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1139246057"}, + "pdb_id":"6zsl", + "resolution":1.94, + "title":"Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s40", - "resolution":1.187, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023824"}, + "pdb_id":"6m0k", + "resolution":1.504, + "title":"The crystal structure of COVID-19 main protease in complex with an inhibitor 11b"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2g", - "resolution":1.19, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z321318226"}, + "pdb_id":"6zpe", + "resolution":1.58, + "title":"Nonstructural protein 10 (nsp10) from SARS CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3h", - "resolution":1.19, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434892"}, + "pdb_id":"7cuu", + "resolution":1.68, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with MG132"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s30", - "resolution":1.19, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z65532537"}, + "pdb_id":"7cx9", + "resolution":1.73, + "title":"Crystal structure of the SARS-CoV-2 main protease in complex with INZ-1"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s4i", - "resolution":1.131, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF051"}, + "pdb_id":"6zru", + "resolution":2.1, + "title":"Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3i", - "resolution":1.17, 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"experimental_method":["X-ray diffraction"], - "pdb_id":"5s31", - "resolution":1.145, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741959530"}, + "pdb_id":"7c7p", + "resolution":1.74, + "title":"Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s36", - "resolution":1.058, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434938"}, + "pdb_id":"5sae", + "resolution":2.12, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z3219959731"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2y", - "resolution":1.052, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z19727416"}, + "pdb_id":"5saf", + "resolution":2.11, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with EN300-321461"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s45", - "resolution":1.16, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00024773"}, + "pdb_id":"5sa5", + "resolution":2.09, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z1530301542"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2z", - "resolution":1.07, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z126932614"}, + "pdb_id":"5sac", + "resolution":2.029, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z59181945"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s43", - "resolution":1.11, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00024661"}, + "pdb_id":"5r8t", + "resolution":1.27, + "title":"PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease screened against DSI poised (Enamine), Fraglites and Peplites (Newcastle university), Mini Frags (Astex), York 3D (York university), electrophile cysteine covalent (Weizman institute) fragment libraries"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2r", - "resolution":1.132, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57292369"}, + "pdb_id":"5saa", + "resolution":2.239, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z319891284"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3r", - "resolution":1.038, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0014"}, + "pdb_id":"5sab", + "resolution":2.486, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z31504642"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2f", - "resolution":1.186, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z44592329"}, + "pdb_id":"6zrt", + "resolution":2.1, + "title":"Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3k", - "resolution":1.17, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z219104216"}, + "pdb_id":"7ntw", + "resolution":1.815, + "title":"Crystal structure of the SARS-CoV-2 Main Protease with a Zinc ion coordinated in the active site"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2n", - "resolution":1.133, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1787627869"}, + "pdb_id":"7nt3", + "resolution":2.325, + "title":"Crystal structure of SARS CoV2 main protease in complex with FSCU015"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2i", - "resolution":1.085, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57299529"}, + "pdb_id":"7be7", + "resolution":1.68, + "title":"Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3g", - "resolution":1.14, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z384468096"}, + "pdb_id":"7nw2", + "resolution":2.1, + "title":"Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s4h", - "resolution":1.175, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF048"}, + "pdb_id":"7ntv", + "resolution":2.065, + "title":"Crystal structure of SARS CoV2 main protease in complex with DN_EG_002 (modelled using PanDDA event map)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s2u", - "resolution":1.034, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z85956652"}, + "pdb_id":"7qbb", + "resolution":2.0, + "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 18"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s47", - "resolution":1.09, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z940713508"}, + "pdb_id":"8dza", + "resolution":1.961, + "title":"Crystal Structure of SARS-CoV-2 Main protease A193T mutant in complex with Nirmatrelvir"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7dfh", - "resolution":2.97, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7t9w", + "resolution":2.2, + "title":"Crystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marker) domain from SARS-CoV-2"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7dfh", - "resolution":2.97, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7nn0", + "resolution":3.04, + "title":"Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7dok", - "resolution":2.73, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7los", + "resolution":2.9, + "title":"SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-65"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7dok", - "resolution":2.73, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7ntq", + "resolution":1.495, + "title":"Crystal structure of the SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dcd", - "resolution":2.57, - "title":"Nonstructural protein 7 and 8 complex of SARS-CoV-2"}, + "pdb_id":"7nng", + "resolution":2.38, + "title":"Crystal structure of the SARS-CoV-2 helicase in complex with Z2327226104"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xip", - "resolution":1.5, - "title":"The 1.5 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2"}, + "pdb_id":"7nt1", + "resolution":2.85, + "title":"Crystal structure of SARS CoV2 main protease in complex with FSP007"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xip", - "resolution":1.5, - "title":"The 1.5 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2"}, + "pdb_id":"7nuk", + "resolution":2.19, + "title":"Crystal structure of SARS CoV2 main protease in complex with EG009 (modelled using PanDDA event map)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jyy", - "resolution":2.05, - "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM)."}, + "pdb_id":"8dz6", + "resolution":2.366, + "title":"Crystal Structure of SARS-CoV-2 Main protease mutant Q189K in complex with Nirmatrelvir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jz0", - "resolution":2.15, - "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1) and S-Adenosyl-L-homocysteine (SAH)."}, + "pdb_id":"7r2v", + "resolution":2.53, + "title":"Structure of nsp14 from SARS-CoV-2 in complex with SAH"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7l6r", @@ -1416,144 +1407,139 @@ "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and Manganese (Mn)."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6vww", + "pdb_id":"7c8b", "resolution":2.2, - "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2."}, + "title":"Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dk1", - "resolution":1.902, - "title":"Crystal structure of Zinc bound SARS-CoV-2 main protease"}, - { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7l5d", - "resolution":1.58, - "title":"The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib"}, + "pdb_id":"7l6t", + "resolution":1.78, + "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and two Magnesium (Mg) ions."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jiv", - "resolution":2.05, - "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530 inhibitor"}, + "pdb_id":"7n6n", + "resolution":2.8, + "title":"SARS-CoV-2 Main protease C145S mutant in complex with N and C-terminal residues"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7ju7", - "resolution":1.6, - "title":"The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib"}, + "pdb_id":"6xip", + "resolution":1.5, + "title":"The 1.5 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7nts", - "resolution":1.477, - "title":"Crystal structure of the SARS-CoV-2 Main Protease with oxidized C145"}, + "pdb_id":"6xip", + "resolution":1.5, + "title":"The 1.5 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s49", - "resolution":1.03, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z56866006"}, + "pdb_id":"7t8r", + "resolution":1.74, + "title":"Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 7/8"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s4e", - "resolution":1.07, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2301685688"}, + "pdb_id":"7t9y", + "resolution":2.18, + "title":"Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 8/9"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3c", - "resolution":1.185, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434937"}, + "pdb_id":"7pxz", + "resolution":1.75, + "title":"Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s48", - "resolution":1.074, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741982125"}, + "pdb_id":"7jiw", + "resolution":2.3, + "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530 inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s42", - "resolution":1.09, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023833"}, + "pdb_id":"7jir", + "resolution":2.09, + "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder457 inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s39", - "resolution":1.164, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z165170770"}, + "pdb_id":"6xg3", + "resolution":2.48, + "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, at room temperature"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3d", - "resolution":1.187, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z30820160"}, + "pdb_id":"7bf3", + "resolution":2.0, + "title":"Crystal structure of SARS-CoV-2 macrodomain in complex with adenosine"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3f", - "resolution":1.16, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57446103"}, + "pdb_id":"7au4", + "resolution":1.82, + "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 3"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3a", - "resolution":1.178, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1562205518"}, + "pdb_id":"7jiv", + "resolution":2.05, + "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530 inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3t", - "resolution":1.085, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0128"}, + "pdb_id":"7jit", + "resolution":1.95, + "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder495 inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s4b", - "resolution":1.185, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z3219959731"}, + "pdb_id":"5r7z", + "resolution":1.59, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1220452176"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s4a", - "resolution":1.081, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z955123498"}, + "pdb_id":"7nts", + "resolution":1.477, + "title":"Crystal structure of the SARS-CoV-2 Main Protease with oxidized C145"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3e", - "resolution":1.05, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z274553586"}, + "pdb_id":"7nt4", + "resolution":2.68, + "title":"X-ray structure of SCoV2-PLpro in complex with small molecule inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s34", - "resolution":1.057, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434941"}, + "pdb_id":"7qcg", + "resolution":1.75, + "title":"Structure of SARS-CoV-2 Papain-like Protease bound to N-(2-pyrrolidyl)-3,4,5-trihydroxybenzoylhydrazone"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s4c", - "resolution":1.01, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1954800348"}, + "pdb_id":"7nt2", + "resolution":2.145, + "title":"Crystal structure of SARS CoV2 main protease in complex with FSP006"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6x1b", - "resolution":1.97, - "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with the Product Nucleotide GpU."}, + "pdb_id":"7sdr", + "resolution":2.72, + "title":"Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7diy", - "resolution":2.693, - "title":"Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-exoribonuclease domain"}, + "pdb_id":"7n6n", + "resolution":2.8, + "title":"SARS-CoV-2 Main protease C145S mutant in complex with N and C-terminal residues"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7diy", - "resolution":2.693, - "title":"Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-exoribonuclease domain"}, + "pdb_id":"6xaa", + "resolution":2.7, + "title":"SARS CoV-2 PLpro in complex with ubiquitin propargylamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7l6t", - "resolution":1.78, - "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and two Magnesium (Mg) ions."}, + "pdb_id":"6xaa", + "resolution":2.7, + "title":"SARS CoV-2 PLpro in complex with ubiquitin propargylamide"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7n6n", - "resolution":2.8, - "title":"SARS-CoV-2 Main protease C145S mutant in complex with N and C-terminal residues"}, + "pdb_id":"6x1b", + "resolution":1.97, + "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with the Product Nucleotide GpU."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7n6n", - "resolution":2.8, - "title":"SARS-CoV-2 Main protease C145S mutant in complex with N and C-terminal residues"}, + "pdb_id":"6xbg", + "resolution":1.45, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xkh", - "resolution":1.28, - "title":"THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine)"}, + "pdb_id":"6xbh", + "resolution":1.6, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"6xkm", @@ -1561,29 +1547,29 @@ "title":"Room Temperature Structure of SARS-CoV-2 NSP10/NSP16 Methyltransferase in a Complex with SAM Determined by Fixed-Target Serial Crystallography"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6xkm", - "resolution":2.25, - "title":"Room Temperature Structure of SARS-CoV-2 NSP10/NSP16 Methyltransferase in a Complex with SAM Determined by Fixed-Target Serial Crystallography"}, + "pdb_id":"6xkh", + "resolution":1.28, + "title":"THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mc5", - "resolution":1.64, - "title":"Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex"}, + "pdb_id":"6xfn", + "resolution":1.7, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mc5", - "resolution":1.64, - "title":"Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex"}, + "pdb_id":"7t8m", + "resolution":1.6, + "title":"Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 5/6"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mc6", - "resolution":2.1, - "title":"Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex containing Mg2+ ion"}, + "pdb_id":"8bsd", + "resolution":1.95, + "title":"SARS-CoV-2 nsp10-16 methyltransferase in complex with tubercidin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mc6", - "resolution":2.1, - "title":"Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex containing Mg2+ ion"}, + "pdb_id":"8bsd", + "resolution":1.95, + "title":"SARS-CoV-2 nsp10-16 methyltransferase in complex with tubercidin"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"6m71", @@ -1595,25 +1581,40 @@ "resolution":2.9, "title":"SARS-Cov-2 RNA-dependent RNA polymerase in complex with cofactors"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7oft", - "resolution":1.95, - "title":"Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde"}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"6m71", + "resolution":2.9, + "title":"SARS-Cov-2 RNA-dependent RNA polymerase in complex with cofactors"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7n0b", + "resolution":3.9, + "title":"Cryo-EM structure of SARS-CoV-2 nsp10-nsp14 (WT)-RNA complex"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7n0c", + "resolution":3.4, + "title":"Cryo-EM structure of the monomeric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7l1f", + "resolution":3.89, + "title":"SARS-CoV-2 RdRp in complex with 4 Remdesivir monophosphate"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7ofs", - "resolution":1.9, - "title":"Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol"}, + "pdb_id":"7ju7", + "resolution":1.6, + "title":"The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s4d", - "resolution":1.22, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741982441"}, + "pdb_id":"6xdh", + "resolution":2.35, + "title":"Crystal Structure of NendoU (Uridylate-specific endoribonuclease, nsp15) from Betacoronavirus SARS-CoV-2"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6m71", - "resolution":2.9, - "title":"SARS-Cov-2 RNA-dependent RNA polymerase in complex with cofactors"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7l5d", + "resolution":1.58, + "title":"The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7jpe", @@ -1626,14 +1627,19 @@ "title":"Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with m7GpppA Cap-0 and SAM Determined by Fixed-Target Serial Crystallography"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7lw3", - "resolution":2.3, - "title":"Structure of SARS-CoV-2 nsp16/nsp10 complex in presence of Cap-1 analog (m7GpppAmU) and SAH"}, + "pdb_id":"7cut", + "resolution":1.82, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with Z-VAD-FMK"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7lw3", - "resolution":2.3, - "title":"Structure of SARS-CoV-2 nsp16/nsp10 complex in presence of Cap-1 analog (m7GpppAmU) and SAH"}, + "pdb_id":"6xbi", + "resolution":1.7, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6xkm", + "resolution":2.25, + "title":"Room Temperature Structure of SARS-CoV-2 NSP10/NSP16 Methyltransferase in a Complex with SAM Determined by Fixed-Target Serial Crystallography"}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7lw4", @@ -1645,10 +1651,45 @@ "resolution":2.5, "title":"Structure of SARS-CoV-2 nsp16/nsp10 complex in presence of S-adenosyl-L-homocysteine (SAH)"}, { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7lw3", + "resolution":2.3, + "title":"Structure of SARS-CoV-2 nsp16/nsp10 complex in presence of Cap-1 analog (m7GpppAmU) and SAH"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7lw3", + "resolution":2.3, + "title":"Structure of SARS-CoV-2 nsp16/nsp10 complex in presence of Cap-1 analog (m7GpppAmU) and SAH"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"8bzv", + "resolution":1.8, + "title":"SARS-CoV-2 nsp10-16 methyltransferase in complex with adenosine"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"8bzv", + "resolution":1.8, + "title":"SARS-CoV-2 nsp10-16 methyltransferase in complex with adenosine"}, + { "experimental_method":["Electron Microscopy"], - "pdb_id":"7l1f", - "resolution":3.89, - "title":"SARS-CoV-2 RdRp in complex with 4 Remdesivir monophosphate"}, + "pdb_id":"7n0b", + "resolution":3.9, + "title":"Cryo-EM structure of SARS-CoV-2 nsp10-nsp14 (WT)-RNA complex"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7n0c", + "resolution":3.4, + "title":"Cryo-EM structure of the monomeric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6xqb", + "resolution":3.4, + "title":"SARS-CoV-2 RdRp/RNA complex"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6xqb", + "resolution":3.4, + "title":"SARS-CoV-2 RdRp/RNA complex"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7l1f", @@ -1660,45 +1701,80 @@ "resolution":3.89, "title":"SARS-CoV-2 RdRp in complex with 4 Remdesivir monophosphate"}, { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7ax6", + "resolution":1.95, + "title":"Structure of SARS-CoV-2 Main Protease bound to Glutathione isopropyl ester"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7awr", + "resolution":1.34, + "title":"Structure of SARS-CoV-2 Main Protease bound to Tegafur"}, + { "experimental_method":["Electron Microscopy"], "pdb_id":"6xqb", "resolution":3.4, "title":"SARS-CoV-2 RdRp/RNA complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6xqb", - "resolution":3.4, - "title":"SARS-CoV-2 RdRp/RNA complex"}, + "pdb_id":"7n0d", + "resolution":2.5, + "title":"Cryo-EM structure of the tetrameric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7n0d", + "resolution":2.5, + "title":"Cryo-EM structure of the tetrameric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7axo", - "resolution":1.65, - "title":"Structure of SARS-CoV-2 Main Protease bound to AR-42."}, + "pdb_id":"7jhe", + "resolution":2.25, + "title":"Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with 2'-O-methylated m7GpppA Cap-1 and SAH Determined by Fixed-Target Serial Crystallography"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7jhe", + "resolution":2.25, + "title":"Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with 2'-O-methylated m7GpppA Cap-1 and SAH Determined by Fixed-Target Serial Crystallography"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7jib", + "resolution":2.65, + "title":"Room Temperature Crystal Structure of Nsp10/Nsp16 from SARS-CoV-2 with Substrates and Products of 2'-O-methylation of the Cap-1"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7jib", + "resolution":2.65, + "title":"Room Temperature Crystal Structure of Nsp10/Nsp16 from SARS-CoV-2 with Substrates and Products of 2'-O-methylation of the Cap-1"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6xqb", - "resolution":3.4, - "title":"SARS-CoV-2 RdRp/RNA complex"}, + "pdb_id":"7cxm", + "resolution":2.9, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7dfh", - "resolution":2.97, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin"}, + "pdb_id":"7cxm", + "resolution":2.9, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7doi", - "resolution":2.6, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir."}, + "pdb_id":"7cxn", + "resolution":3.84, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7doi", - "resolution":2.6, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir."}, + "pdb_id":"7cxn", + "resolution":3.84, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7dfh", + "resolution":2.97, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7dok", - "resolution":2.73, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir"}, + "pdb_id":"7dfg", + "resolution":2.7, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7dfg", @@ -1720,50 +1796,120 @@ "resolution":2.97, "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin"}, { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7avd", + "resolution":1.8, + "title":"Structure of SARS-CoV-2 Main Protease bound to SEN1269 ligand"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7awu", + "resolution":2.07, + "title":"Structure of SARS-CoV-2 Main Protease bound to LSN2463359."}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7aww", + "resolution":1.65, + "title":"Structure of SARS-CoV-2 Main Protease bound to Clonidine"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7axm", + "resolution":1.4, + "title":"Structure of SARS-CoV-2 Main Protease bound to Pelitinib"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7ay7", + "resolution":1.55, + "title":"Structure of SARS-CoV-2 Main Protease bound to Isofloxythepin"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7aqj", + "resolution":2.59, + "title":"Structure of SARS-CoV-2 Main Protease bound to Triglycidyl isocyanurate."}, + { "experimental_method":["Electron Microscopy"], - "pdb_id":"7doi", - "resolution":2.6, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir."}, + "pdb_id":"7cxm", + "resolution":2.9, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7dok", - "resolution":2.73, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir"}, + "pdb_id":"7cxm", + "resolution":2.9, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7dok", - "resolution":2.73, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir"}, + "pdb_id":"7cxn", + "resolution":3.84, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7dfg", - "resolution":2.7, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir"}, + "pdb_id":"7cxn", + "resolution":3.84, + "title":"Architecture of a SARS-CoV-2 mini replication and transcription complex"}, { - "experimental_method":["X-ray diffraction"], - "pdb_id":"7jyy", - "resolution":2.05, - "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM)."}, + "experimental_method":["Electron Microscopy"], + "pdb_id":"6xez", + "resolution":3.5, + "title":"Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6xez", + "resolution":3.5, + "title":"Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6xez", + "resolution":3.5, + "title":"Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6xez", + "resolution":3.5, + "title":"Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jyy", - "resolution":2.05, - "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM)."}, + "pdb_id":"7lfz", + "resolution":1.9, + "title":"Human leukocyte antigen B*07:02 in complex with SARS-CoV2 epitope IPRRNVATL"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7cyq", + "resolution":2.83, + "title":"Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7cyq", + "resolution":2.83, + "title":"Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7cyq", + "resolution":2.83, + "title":"Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7cyq", + "resolution":2.83, + "title":"Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"7cyq", + "resolution":2.83, + "title":"Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jz0", - "resolution":2.15, - "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1) and S-Adenosyl-L-homocysteine (SAH)."}, + "pdb_id":"7axo", + "resolution":1.65, + "title":"Structure of SARS-CoV-2 Main Protease bound to AR-42."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7jz0", - "resolution":2.15, - "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1) and S-Adenosyl-L-homocysteine (SAH)."}, + "pdb_id":"7aqi", + "resolution":1.7, + "title":"Structure of SARS-CoV-2 Main Protease bound to Ifenprodil"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7l6r", - "resolution":1.98, - "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and Manganese (Mn)."}, + "pdb_id":"7aws", + "resolution":1.81, + "title":"Structure of SARS-CoV-2 Main Protease bound to TH-302."}, { "experimental_method":["X-ray diffraction"], "pdb_id":"7l6t", @@ -1780,15 +1926,25 @@ "resolution":1.98, "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and Manganese (Mn)."}, { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7l6r", + "resolution":1.98, + "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and Manganese (Mn)."}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7a1u", + "resolution":1.67, + "title":"Structure of SARS-CoV-2 Main Protease bound to Fusidic Acid."}, + { "experimental_method":["Electron Microscopy"], "pdb_id":"6zok", "resolution":2.8, "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zok", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, + "pdb_id":"7jqb", + "resolution":2.7, + "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7jqb", @@ -1826,9 +1982,9 @@ "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqc", - "resolution":3.3, - "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, + "pdb_id":"7jqb", + "resolution":2.7, + "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7jqc", @@ -1861,26 +2017,6 @@ "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zok", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqb", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmt", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmt", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], "pdb_id":"7jqc", "resolution":3.3, "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, @@ -1891,14 +2027,9 @@ "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zoj", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zoj", + "pdb_id":"6zok", "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, + "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7jqb", @@ -1911,19 +2042,9 @@ "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqc", - "resolution":3.3, - "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zoj", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqb", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, + "pdb_id":"6zmt", + "resolution":3.0, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7jqc", @@ -1936,16 +2057,6 @@ "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqb", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmt", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], "pdb_id":"7jqc", "resolution":3.3, "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, @@ -1956,84 +2067,34 @@ "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zon", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, + "pdb_id":"6zn5", + "resolution":3.2, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zon", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, + "pdb_id":"6zn5", + "resolution":3.2, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zon", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, + "pdb_id":"6zn5", + "resolution":3.2, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zon", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, + "pdb_id":"6zn5", + "resolution":3.2, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmt", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, + "pdb_id":"6zlw", + "resolution":2.6, + "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zok", + "pdb_id":"6zoj", "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zp4", - "resolution":2.9, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zp4", - "resolution":2.9, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zp4", - "resolution":2.9, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zp4", - "resolution":2.9, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zon", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zon", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zon", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zp4", - "resolution":2.9, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zp4", - "resolution":2.9, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zp4", - "resolution":2.9, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, + "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"6zok", @@ -2041,99 +2102,64 @@ "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zon", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, - { - "experimental_method":["Electron Microscopy"], "pdb_id":"7jqb", "resolution":2.7, "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmt", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqc", - "resolution":3.3, - "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zoj", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zok", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zok", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zok", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zon", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, + "pdb_id":"7jqb", + "resolution":2.7, + "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zp4", - "resolution":2.9, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, + "pdb_id":"7jqb", + "resolution":2.7, + "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zp4", - "resolution":2.9, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, + "pdb_id":"7jqb", + "resolution":2.7, + "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmi", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex"}, + "pdb_id":"7jqb", + "resolution":2.7, + "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmi", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex"}, + "pdb_id":"7jqc", + "resolution":3.3, + "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmi", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex"}, + "pdb_id":"7jqc", + "resolution":3.3, + "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmi", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex"}, + "pdb_id":"7jqc", + "resolution":3.3, + "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmi", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex"}, + "pdb_id":"7jqc", + "resolution":3.3, + "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmi", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex"}, + "pdb_id":"7jqc", + "resolution":3.3, + "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zok", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, + "pdb_id":"6zn5", + "resolution":3.2, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zok", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, + "pdb_id":"7jqc", + "resolution":3.3, + "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"6zok", @@ -2141,59 +2167,14 @@ "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmo", - "resolution":3.1, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmo", - "resolution":3.1, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmo", - "resolution":3.1, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmo", - "resolution":3.1, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmo", - "resolution":3.1, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmo", - "resolution":3.1, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmo", - "resolution":3.1, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqb", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqb", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], "pdb_id":"7jqb", "resolution":2.7, "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zon", + "pdb_id":"6zmt", "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"6zmt", @@ -2206,64 +2187,59 @@ "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqc", - "resolution":3.3, - "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqc", - "resolution":3.3, - "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, + "pdb_id":"6zoj", + "resolution":2.8, + "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zp4", - "resolution":2.9, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, + "pdb_id":"6zoj", + "resolution":2.8, + "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zok", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, + "pdb_id":"6zn5", + "resolution":3.2, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zok", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, + "pdb_id":"6zn5", + "resolution":3.2, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmi", + "pdb_id":"6zlw", "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex"}, + "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmi", + "pdb_id":"6zlw", "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex"}, + "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmo", - "resolution":3.1, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex"}, + "pdb_id":"6zon", + "resolution":3.0, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqb", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, + "pdb_id":"6zok", + "resolution":2.8, + "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqb", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, + "pdb_id":"6zmt", + "resolution":3.0, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqb", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, + "pdb_id":"6zn5", + "resolution":3.2, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqb", - "resolution":2.7, - "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, + "pdb_id":"6zok", + "resolution":2.8, + "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"6zon", @@ -2271,14 +2247,14 @@ "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmt", + "pdb_id":"6zon", "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmt", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, + "pdb_id":"7jqb", + "resolution":2.7, + "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"6zmt", @@ -2286,19 +2262,24 @@ "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqc", - "resolution":3.3, - "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, + "pdb_id":"6zp4", + "resolution":2.9, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqc", - "resolution":3.3, - "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, + "pdb_id":"6zp4", + "resolution":2.9, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqc", - "resolution":3.3, - "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, + "pdb_id":"6zp4", + "resolution":2.9, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zmt", + "resolution":3.0, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7jqc", @@ -2306,9 +2287,9 @@ "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zoj", + "pdb_id":"6zok", "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, + "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"6zoj", @@ -2316,19 +2297,39 @@ "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zoj", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, + "pdb_id":"6zn5", + "resolution":3.2, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zoj", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, + "pdb_id":"6zlw", + "resolution":2.6, + "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zoj", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, + "pdb_id":"6zlw", + "resolution":2.6, + "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zon", + "resolution":3.0, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zon", + "resolution":3.0, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zon", + "resolution":3.0, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zon", + "resolution":3.0, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"6zp4", @@ -2341,29 +2342,39 @@ "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmi", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex"}, + "pdb_id":"6zok", + "resolution":2.8, + "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmi", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex"}, + "pdb_id":"6zok", + "resolution":2.8, + "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zoj", + "resolution":2.8, + "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmo", - "resolution":3.1, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex"}, + "pdb_id":"6zn5", + "resolution":3.2, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmo", - "resolution":3.1, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex"}, + "pdb_id":"6zon", + "resolution":3.0, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zon", + "resolution":3.0, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmo", - "resolution":3.1, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex"}, + "pdb_id":"6zon", + "resolution":3.0, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"7jqb", @@ -2381,14 +2392,44 @@ "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmt", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, + "pdb_id":"7jqb", + "resolution":2.7, + "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmt", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, + "pdb_id":"6zok", + "resolution":2.8, + "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zok", + "resolution":2.8, + "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zok", + "resolution":2.8, + "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zp4", + "resolution":2.9, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zp4", + "resolution":2.9, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zp4", + "resolution":2.9, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zp4", + "resolution":2.9, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"6zmt", @@ -2411,34 +2452,39 @@ "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7jqc", - "resolution":3.3, - "title":"SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], "pdb_id":"6zoj", "resolution":2.8, "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zoj", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, + "pdb_id":"6zn5", + "resolution":3.2, + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zok", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, + "pdb_id":"6zlw", + "resolution":2.6, + "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zok", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, + "pdb_id":"6zlw", + "resolution":2.6, + "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zok", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, focused on body"}, + "pdb_id":"6zlw", + "resolution":2.6, + "title":"SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zon", + "resolution":3.0, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, + { + "experimental_method":["Electron Microscopy"], + "pdb_id":"6zon", + "resolution":3.0, + "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, { "experimental_method":["Electron Microscopy"], "pdb_id":"6zok", @@ -2461,57 +2507,7 @@ "title":"SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmi", - "resolution":2.6, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmt", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmt", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], "pdb_id":"6zmt", "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmt", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmt", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zmo", - "resolution":3.1, - "title":"SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zon", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zon", - "resolution":3.0, - "title":"SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zoj", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}, - { - "experimental_method":["Electron Microscopy"], - "pdb_id":"6zoj", - "resolution":2.8, - "title":"SARS-CoV-2-Nsp1-40S complex, composite map"}] + "title":"SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex"}] }} diff --git a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt4.txt b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt4.txt index e0c24c7..85fe405 100644 --- a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt4.txt +++ b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt4.txt @@ -1 +1 @@ -https://www.ebi.ac.uk/pdbe/search/pdb/select?wt=json&fl=pdb_id,title,experimental_method,resolution&rows=500&start=0&q=(5s3v+OR+5s3u+OR+5s3x+OR+5s3w+OR+7me0+OR+5s3z+OR+5s3y+OR+5s72+OR+7kag+OR+5s71+OR+5s74+OR+5s73+OR+7dte+OR+7bq7+OR+5s70+OR+7d1o+OR+7d1m+OR+6yb7+OR+7d47+OR+7d4f+OR+7bqy+OR+7dw6+OR+5s6y+OR+7d3i+OR+5s6x+OR+5s6z+OR+7dw0+OR+7mhl+OR+7mhm+OR+7mhj+OR+7mhk+OR+7mhp+OR+7mhq+OR+7mhn+OR+7mho+OR+7dvy+OR+7mhh+OR+7mhi+OR+7mhf+OR+7mhg+OR+7bro+OR+7brp+OR+7dvw+OR+7dvx+OR+7mgs+OR+7mgr+OR+7dvp+OR+7s3s+OR+7btf+OR+7keg+OR+7keh+OR+7s3k+OR+7kf4+OR+7b3b+OR+7b3c+OR+7b3d+OR+7b3e+OR+7kfi+OR+7s4b+OR+7b2u+OR+7b2j+OR+7kg3+OR+7bv1+OR+7bv2+OR+7bw4+OR+7buy+OR+6wc1+OR+7d7l+OR+7d7k+OR+7khp+OR+7mlf+OR+7mlg+OR+7s82+OR+7b5z+OR+7b77+OR+6wcf+OR+7bwq+OR+7oru+OR+7orr+OR+7orv+OR+7orw+OR+6yhu+OR+7mng+OR+7b83+OR+7bzf+OR+6wey+OR+6wen+OR+7m04+OR+7o46+OR+7m02+OR+7m03+OR+7m00+OR+7m01+OR+7mpb+OR+6lu7+OR+7ed5+OR+7mrr+OR+7msw+OR+7msx+OR+7m1y+OR+7kok+OR+7kol+OR+6wiq+OR+7koj+OR+7koa)+AND+molecule_sequence:%5B''+TO+*%5D+AND+status:REL&sort= 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diff --git a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt4_resp.txt b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt4_resp.txt index e506536..16a880c 100644 --- a/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt4_resp.txt +++ b/test/jalview/fts/threedbeacons/p0dtd1_pdbfts_fts_query_pt4_resp.txt @@ -1,793 +1,1794 @@ { "responseHeader":{ "status":0, - "QTime":1, + "QTime":4, "params":{ - "q":"(5s3v OR 5s3u OR 5s3x OR 5s3w OR 7me0 OR 5s3z OR 5s3y OR 5s72 OR 7kag OR 5s71 OR 5s74 OR 5s73 OR 7dte OR 7bq7 OR 5s70 OR 7d1o OR 7d1m OR 6yb7 OR 7d47 OR 7d4f OR 7bqy OR 7dw6 OR 5s6y OR 7d3i OR 5s6x OR 5s6z OR 7dw0 OR 7mhl OR 7mhm OR 7mhj OR 7mhk OR 7mhp OR 7mhq OR 7mhn OR 7mho OR 7dvy OR 7mhh OR 7mhi OR 7mhf OR 7mhg OR 7bro OR 7brp OR 7dvw OR 7dvx OR 7mgs OR 7mgr OR 7dvp OR 7s3s OR 7btf OR 7keg OR 7keh OR 7s3k OR 7kf4 OR 7b3b OR 7b3c OR 7b3d OR 7b3e OR 7kfi OR 7s4b OR 7b2u OR 7b2j OR 7kg3 OR 7bv1 OR 7bv2 OR 7bw4 OR 7buy OR 6wc1 OR 7d7l OR 7d7k OR 7khp OR 7mlf OR 7mlg 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"response":{"numFound":156,"start":0,"docs":[ + "response":{"numFound":356,"start":0,"docs":[ { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mgr", - "resolution":1.94, - "title":"SARS-CoV-2 main protease in complex with nsp8/9 substrate peptide"}, + "pdb_id":"7wof", + "resolution":1.72, + "title":"SARS-CoV-2 3CLpro"}, + { + "experimental_method":["Solution NMR"], + "pdb_id":"7ywr", + "title":"NMR structure of the N-terminal domain of Nsp8 from SARS-CoV-2"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7fr1", + "resolution":1.15, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1423250928"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7jvz", + "resolution":2.5, + "title":"SARS CoV-2 MAIN PROTEASE 3CLpro, ROOM TEMPERATURE, DAMAGE FREE XFEL MONOCLINIC STRUCTURE"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7fr0", + "resolution":1.15, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890182452"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7fr5", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890189003"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7fr6", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890147894"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7fra", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1343520564"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7fr9", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1367095370"}, + { + 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"experimental_method":["X-ray diffraction"], + "pdb_id":"7frc", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A05 - (R) isomer"}, + { + "experimental_method":["X-ray diffraction", + "Neutron Diffraction", + "Hybrid"], + "pdb_id":"7jun", + "resolution":2.3, + "title":"Joint neutron/X-ray structure of SARS-CoV-2 3CL Mpro at room temperature"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7l8j", + "resolution":2.45, + "title":"SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21212)"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7fr8", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890408258 - (R) isomer"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7fr3", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of 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"experimental_method":["X-ray diffraction"], + "pdb_id":"7jw8", + "resolution":1.84, + "title":"Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 in space group P1"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7djr", + "resolution":1.45, + "title":"Crystal structure of SARS-CoV-2 main protease (no ligand)"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"6z5t", + "resolution":1.571, + "title":"SARS-CoV-2 Macrodomain in complex with ADP-ribose"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7lzu", + "resolution":1.6, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 12b"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7lzw", + "resolution":2.2, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 20b (deuterated analog of 19b)"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5sp3", + "resolution":1.01, + "title":"PanDDA analysis group 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isomer"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7s82", - "resolution":3.5, - "title":"Cryo-EM structure of SARS-CoV-2 Main protease C145S in complex with N-terminal peptide"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5spo", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00020289192 - (S) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7bqy", - "resolution":1.7, - "title":"THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom"}, + "pdb_id":"5sqf", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250000548538 - (R) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7bwq", - "resolution":2.954, - "title":"Structure of nonstructural protein Nsp9 from SARS-CoV-2"}, + "pdb_id":"5spl", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000611664196 - (S,S) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wc1", - "resolution":2.4, - "title":"Peptide-bound SARS-CoV-2 Nsp9 RNA-replicase"}, + "pdb_id":"5sp9", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z3508769536 - (S) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7s4b", - "resolution":2.0, - "title":"Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724963"}, + "pdb_id":"5sp4", + "resolution":1.06, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398572"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7msw", - "resolution":3.76, - "title":"Full length SARS-CoV-2 Nsp2"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5slq", + "resolution":2.112, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434829"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7me0", - "resolution":2.48, - "title":"Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 6.0"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5sq8", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1445261766"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7s3s", - "resolution":2.0, - "title":"Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724813"}, + "pdb_id":"5sot", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000292637864 - (R) and (S) isomers"}, { "experimental_method":["X-ray 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REAL250003958539"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7d1o", - "resolution":1.78, - "title":"Crystal structure of SARS-Cov-2 main protease with narlaprevir"}, + "pdb_id":"5spq", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00014134848 - (R) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s73", - "resolution":1.06, - "title":"PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain"}, + "pdb_id":"5sra", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5372052920 - (R) isomer"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7dte", - "resolution":3.0, - "title":"SARS-CoV-2 RdRP catalytic complex with T33-1 RNA"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5spz", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250001448407 - (S) isomer"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7dte", - "resolution":3.0, - "title":"SARS-CoV-2 RdRP catalytic complex with T33-1 RNA"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5spm", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00002410346"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wcf", - "resolution":1.065, - "title":"Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in complex with MES"}, + "pdb_id":"5sph", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398515 - (R,S) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wey", - "resolution":0.95, - "title":"High-resolution structure of the SARS-CoV-2 NSP3 Macro X domain"}, + "pdb_id":"5sql", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2689779890"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mhi", - "resolution":1.88, - "title":"Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 298 K"}, + "pdb_id":"5sp6", + "resolution":1.07, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398580"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m00", - "resolution":2.0, - "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 13c"}, + "pdb_id":"5sqo", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5030903496 - (R) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mhm", - "resolution":1.5302, - "title":"Ensemble refinement structure of apo/unliganded SARS-CoV-2 main protease (Mpro) at 240 K"}, + "pdb_id":"5sqz", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1039058598"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m03", - "resolution":2.0, - "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 18c"}, + "pdb_id":"5sqq", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00014649046"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mlf", - "resolution":2.6, - "title":"Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C7"}, + "pdb_id":"5sox", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000043461211"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mlg", - "resolution":2.5, - "title":"Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C63"}, + "pdb_id":"5sp8", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894415 - (S) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mhk", - "resolution":1.96, - "title":"Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K"}, + "pdb_id":"5spy", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL300019621104"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m01", - "resolution":1.65, - "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 14c"}, + "pdb_id":"5spj", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000893101964"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mhn", - "resolution":2.1908, - "title":"Ensemble refinement structure of apo/unliganded SARS-CoV-2 main protease (Mpro) at 277 K"}, + "pdb_id":"5sq6", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894406"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mhl", - "resolution":1.55, - "title":"Ensemble refinement structure of apo/unliganded SARS-CoV-2 main protease (Mpro) at 100 K"}, + "pdb_id":"5spv", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250003774401"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mhh", - "resolution":2.19, - "title":"Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 277 K"}, + "pdb_id":"5sr4", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2479779298 - (R,S) and (S,R) isomers"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mho", - "resolution":1.88, - "title":"Ensemble refinement structure of apo/unliganded SARS-CoV-2 main protease (Mpro) at 298 K"}, + "pdb_id":"5sq2", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2976440814 - (S) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kag", - "resolution":3.21, - "title":"Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2"}, + "pdb_id":"5som", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000835985505 - (S) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kf4", - "resolution":2.61, - "title":"Crystal structure from SARS-CoV-2 NendoU NSP15"}, + "pdb_id":"5sr8", + "resolution":1.1, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4914650235 - (S) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7bro", - "resolution":2.0, - "title":"Crystal structure of the 2019-nCoV main protease"}, + "pdb_id":"5sq4", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2364980062 - (R) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7keh", - "resolution":2.59, - "title":"Crystal structure from SARS-CoV-2 NendoU NSP15"}, + "pdb_id":"5sol", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000910475722 - (S,R) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mhf", - "resolution":1.55, - "title":"Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 100 K"}, + "pdb_id":"5son", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000920153280 - (R) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s74", - "resolution":0.96, - "title":"PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain"}, + "pdb_id":"5soj", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000642067873 - (R) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mhq", - "resolution":1.9601, - "title":"Ensemble refinement structure of apo/unliganded SARS-CoV-2 main protease (Mpro) at 310 K"}, + "pdb_id":"5sr3", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5021669050 - (S,S) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7d47", - "resolution":1.97, - "title":"Crystal structure of SARS-CoV-2 Papain-like protease C111S"}, + "pdb_id":"5soq", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000896845531 - (R) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dw0", - "resolution":1.81, - "title":"SARS-CoV-2 Mpro mutant (H41A) in complex with nsp15|16 peptidyl substrate"}, + "pdb_id":"5sow", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000118179920"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dvp", - "resolution":1.69, - "title":"SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate"}, + "pdb_id":"5sr1", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1272415642 - (R) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dvx", - "resolution":1.8, - "title":"SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate"}, + "pdb_id":"5sr0", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z3649721459 - (R,S) and (S,R) isomers"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dw6", - "resolution":1.7, - "title":"SARS-CoV-2 Mpro mutant (H41A) in complex with nsp14|15 peptidyl substrate"}, + "pdb_id":"5sqk", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2479782408 - (R,S) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dvy", - "resolution":1.8, - "title":"SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate"}, + "pdb_id":"7mbi", + "resolution":2.15, + "title":"Structure of SARS-CoV2 3CL protease covalently bound to peptidomimetic inhibitor"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7b3d", - "resolution":2.8, - "title":"Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with AMP at position -4 (structure 3)"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7lzy", + "resolution":1.85, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7b3d", - "resolution":2.8, - "title":"Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with AMP at position -4 (structure 3)"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7qg7", + "resolution":1.72, + "title":"SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7lzz", + "resolution":2.0, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 5c"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7si9", + "resolution":2.0, + "title":"Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7qgi", + "resolution":1.65, + "title":"Crystal structure of SARS-CoV-2 NSP14 in the absence of NSP10"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7sgh", + "resolution":1.85, + "title":"SARS-CoV-2 Main Protease (Mpro) in Complex with ML124N"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7b3b", - "resolution":3.1, - "title":"Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -3 (structure 1)"}, + "pdb_id":"7dok", + "resolution":2.73, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7b3b", - "resolution":3.1, - "title":"Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -3 (structure 1)"}, + "pdb_id":"7dok", + "resolution":2.73, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7b3c", - "resolution":3.4, - "title":"Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -4 (structure 2)"}, + "pdb_id":"7doi", + "resolution":2.6, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir."}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7b3c", - "resolution":3.4, - "title":"Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -4 (structure 2)"}, + "pdb_id":"7doi", + "resolution":2.6, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir."}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"8acd", + "resolution":1.39, + "title":"Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"8acl", + "resolution":1.4, + "title":"Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wen", - "resolution":1.35, - "title":"Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in the apo form"}, + "pdb_id":"7lzt", + "resolution":1.55, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 8b"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7brp", - "resolution":1.8, - "title":"Crystal structure of the 2019-nCoV main protease complexed with Boceprevir"}, + "pdb_id":"7dpp", + "resolution":2.1, + "title":"SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m04", + "pdb_id":"7dpu", "resolution":1.75, - "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 21c"}, + "title":"SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m02", - "resolution":1.8, - "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 17c"}, + "pdb_id":"7fr4", + "resolution":1.0, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A26A - (S) isomer"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mhg", - "resolution":1.5302, - "title":"Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 240 K"}, + "pdb_id":"7mbg", + "resolution":1.86, + "title":"SARS-CoV-2 Main protease in orthorhombic space group"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7o46", - "resolution":2.23, - "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17"}, + "pdb_id":"5sp2", + "resolution":0.97, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000579359572 - (R) and (S) isomers"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mpb", - "resolution":2.3, - "title":"SARS Coronavirus-2 Main Protease 3CL-pro binding Ascorbate"}, + "pdb_id":"5sqg", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894430 - (R,R) and (S,S) isomers"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dw0", - "resolution":1.81, - "title":"SARS-CoV-2 Mpro mutant (H41A) in complex with nsp15|16 peptidyl substrate"}, + "pdb_id":"5srb", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562532 - (R) and (S) isomers"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dvp", - "resolution":1.69, - "title":"SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate"}, + "pdb_id":"5sqa", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894395 - (R,R) and (S,S) isomers"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dvx", - "resolution":1.8, - "title":"SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate"}, + "pdb_id":"5slu", + "resolution":2.09, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1796014543"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dw6", - "resolution":1.7, - "title":"SARS-CoV-2 Mpro mutant (H41A) in complex with nsp14|15 peptidyl substrate"}, + "pdb_id":"5slz", + "resolution":2.54, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2072621991"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dvy", - "resolution":1.8, - "title":"SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate"}, + "pdb_id":"5smf", + "resolution":2.011, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z56791867"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7bzf", - "resolution":3.26, - "title":"COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5sqc", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894388 - (R,R) and (S,S) isomers"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7bzf", - "resolution":3.26, - "title":"COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5slp", + "resolution":1.819, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z373768898"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7d3i", - "resolution":2.004, - "title":"Crystal structure of SARS-CoV-2 main protease in complex with MI-23"}, + "pdb_id":"5sq5", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894407 - (R,S) and (S,S) isomers"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mng", - "resolution":1.7, - "title":"Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy)"}, + "pdb_id":"5sma", + "resolution":2.011, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434890"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kfi", - "resolution":1.6, - "title":"SARS-CoV-2 Main protease immature form - apo structure"}, + "pdb_id":"5slw", + "resolution":2.05, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1310876699"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5slx", + "resolution":1.76, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z752989138"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s71", - "resolution":1.941, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with FUZS-5"}, + "pdb_id":"5smc", + "resolution":2.19, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2033637875"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s6y", - "resolution":2.32, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z56900771"}, + "pdb_id":"5sqi", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5016127255 - (R,R) and (S,S) isomers"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s6x", - "resolution":2.32, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z2889976755"}, + "pdb_id":"5sls", + "resolution":2.29, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1373445602"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s70", - "resolution":2.327, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with EN300-181428"}, + "pdb_id":"5sqd", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894382 - (R,R) and (S,S) isomers"}, { "experimental_method":["X-ray diffraction"], - 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group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1816233707"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7ed5", - "resolution":2.98, - "title":"A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5spi", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4574659604 - (R,R) and (S,S) isomers"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6yhu", - "resolution":2.0, - "title":"Crystal structure of the nsp7-nsp8 complex of SARS-CoV-2"}, + "pdb_id":"5sqb", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894390 - (R,R) and (S,S) isomers"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6yhu", - "resolution":2.0, - "title":"Crystal structure of the nsp7-nsp8 complex of 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"title":"SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19)."}, + "pdb_id":"5spa", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894417 - (R,R) and (S,S) isomers"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7buy", - "resolution":1.6, - "title":"The crystal structure of COVID-19 main protease in complex with carmofur"}, + "pdb_id":"5smd", + "resolution":1.826, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z274575916"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7b77", - "resolution":1.6, - "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 8"}, + "pdb_id":"5spc", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894387 - (R,R) and (S,S) isomers"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kol", - "resolution":2.58, - "title":"The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder496 inhibitor"}, + "pdb_id":"5slr", + "resolution":1.86, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2073741691"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7b2u", - "resolution":1.55, - "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 1"}, + "pdb_id":"5slo", + "resolution":1.829, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z56983806"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kg3", - "resolution":1.45, - "title":"Crystal structure of CoV-2 Nsp3 Macrodomain"}, + "pdb_id":"5srh", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5265470867 - pyrimido-indole core only"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7b2j", - "resolution":1.55, - "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 5"}, + "pdb_id":"5spb", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894404 - (R,R) and (S,S) isomers"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5soi", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000078036511 - (R) and (S) isomers"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7b5z", + "pdb_id":"5sme", + "resolution":1.91, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z437584380"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5sqw", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5014193706 - (R,R) and (S,S) isomers"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5sqt", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000833624464 - (R,R) and (S,S) isomers"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5sr7", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4914649782 - (R,R,S) and (S,S,R) isomers"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7lzx", "resolution":1.65, - "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 6"}, + "title":"Structure of SARS-CoV-2 3CL protease in complex with inhibitor 1c"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3z", - "resolution":1.31, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0140"}, + "pdb_id":"7lyh", + "resolution":1.9, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3y", - "resolution":1.113, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0012"}, + "pdb_id":"7mau", + "resolution":1.95, + "title":"SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFR-yne"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3v", - "resolution":1.119, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0120"}, + "pdb_id":"7qif", + "resolution":2.53, + "title":"Crystal structure of SARS-CoV-2 NSP14 in complex with 7MeGpppG."}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3x", - "resolution":1.13, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0136"}, + "pdb_id":"7mb8", + "resolution":1.62, + "title":"SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp8/9 (P6-P1)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3u", - "resolution":1.078, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0041"}, + "pdb_id":"7mb8", + "resolution":1.62, + "title":"SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp8/9 (P6-P1)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"5s3w", - "resolution":0.987, - "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0135"}, + "pdb_id":"7mb4", + "resolution":1.83, + "title":"SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp4/5 (P6-P1)"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7bv2", - "resolution":2.5, - "title":"The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP)"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7mb4", + "resolution":1.83, + "title":"SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp4/5 (P6-P1)"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7bv2", - "resolution":2.5, - "title":"The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP)"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7mb5", + "resolution":1.6, + "title":"SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp5/6 (P6-P1)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wiq", - "resolution":2.85, - "title":"Crystal structure of the co-factor complex of NSP7 and the C-terminal domain of NSP8 from SARS CoV-2"}, + "pdb_id":"7mb5", + "resolution":1.6, + "title":"SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp5/6 (P6-P1)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7dvw", - "resolution":1.49, - "title":"SARS-CoV-2 Mpro mutant (H41A) in complex with nsp5|6 peptidyl substrate"}, + "pdb_id":"7mb9", + "resolution":1.81, + "title":"SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp10/11 (P6-P1)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7bq7", - "resolution":2.37, - "title":"Crystal structure of 2019-nCoV nsp16-nsp10 complex"}, + "pdb_id":"7mb7", + "resolution":2.02, + "title":"SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp7/8 (P6-P1)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7bq7", - "resolution":2.37, - "title":"Crystal structure of 2019-nCoV nsp16-nsp10 complex"}, + "pdb_id":"7mb7", + "resolution":2.02, + "title":"SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp7/8 (P6-P1)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mgs", - "resolution":1.84, - "title":"SARS-CoV-2 main protease in complex with N-terminal autoprocessing substrate"}, + "pdb_id":"7mb6", + "resolution":2.21, + "title":"SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp6/7 (P6-P1)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6wiq", - "resolution":2.85, - "title":"Crystal structure of the co-factor complex of NSP7 and the C-terminal domain of NSP8 from SARS CoV-2"}, + "pdb_id":"7mb6", + "resolution":2.21, + "title":"SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp6/7 (P6-P1)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7khp", - "resolution":1.95, - "title":"Acyl-enzyme intermediate structure of SARS-CoV-2 Mpro in complex with its C-terminal autoprocessing sequence."}, + "pdb_id":"7mb9", + "resolution":1.81, + "title":"SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp10/11 (P6-P1)"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7kok", - "resolution":2.0, - "title":"The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder496 inhibitor"}, + "pdb_id":"6x4i", + "resolution":1.85, + "title":"Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with 3'-uridinemonophosphate"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7d7k", + "pdb_id":"7lyi", "resolution":1.9, - "title":"The crystal structure of SARS-CoV-2 papain-like protease in apo form"}, + "title":"Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7koj", - "resolution":2.02, - "title":"The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder494 inhibitor"}, + "pdb_id":"6z6i", + "resolution":2.0, + "title":"SARS-CoV-2 Macrodomain in complex with ADP-HPD"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7b3e", - "resolution":1.77, - "title":"Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2"}, + "pdb_id":"7bij", + "resolution":1.47, + "title":"Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 13"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7mrr", - "resolution":2.32, - "title":"Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin"}, + "pdb_id":"7jyc", + "resolution":1.79, + "title":"Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7d1m", - "resolution":1.35, - "title":"CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376"}, + "pdb_id":"5s1a", + "resolution":1.079, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-43406"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7bw4", - "resolution":3.7, - "title":"Structure of the RNA-dependent RNA polymerase from SARS-CoV-2"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s29", + "resolution":1.3, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z199959602"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7bw4", - "resolution":3.7, - "title":"Structure of the RNA-dependent RNA polymerase from SARS-CoV-2"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s2f", + "resolution":1.186, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z44592329"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"6lu7", - "resolution":2.16, - "title":"The crystal structure of COVID-19 main protease in complex with an inhibitor N3"}, + "pdb_id":"5s2h", + "resolution":1.068, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434920"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7bqy", - "resolution":1.7, - "title":"THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom"}, + "pdb_id":"5s2a", + "resolution":1.08, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1263529624"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7koa", - "resolution":2.4, - "title":"Room Temperature Structure of SARS-CoV-2 Nsp10/16 Methyltransferase in a Complex with Cap-0 and SAM Determined by Pink-Beam Serial Crystallography"}, + "pdb_id":"5s2k", + "resolution":1.097, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z445856640"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7koa", - "resolution":2.4, - "title":"Room Temperature Structure of SARS-CoV-2 Nsp10/16 Methyltransferase in a Complex with Cap-0 and SAM Determined by Pink-Beam Serial Crystallography"}, + "pdb_id":"5s2c", + "resolution":1.092, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z45612755"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7bv1", - "resolution":2.8, - "title":"Cryo-EM structure of the apo nsp12-nsp7-nsp8 complex"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s22", + "resolution":1.175, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z145120524"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7bv1", - "resolution":2.8, - "title":"Cryo-EM structure of the apo nsp12-nsp7-nsp8 complex"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s40", + "resolution":1.187, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023824"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7btf", - "resolution":2.95, - "title":"SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s20", + "resolution":1.037, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with PB1827975385"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7bw4", - "resolution":3.7, - "title":"Structure of the RNA-dependent RNA polymerase from SARS-CoV-2"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s2l", + "resolution":1.085, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2234920345"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7d4f", - "resolution":2.57, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to suramin"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5squ", + "resolution":1.05, + "title":"PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250004627335"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7d4f", - "resolution":2.57, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to suramin"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s2r", + "resolution":1.132, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57292369"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7orv", - "resolution":1.95, - "title":"Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239"}, + "pdb_id":"5s41", + "resolution":1.186, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 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"experimental_method":["X-ray diffraction"], + "pdb_id":"5s30", + "resolution":1.19, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z65532537"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s1m", + "resolution":1.184, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STK497968"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s28", + "resolution":1.09, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z409974522"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s33", + "resolution":1.06, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z906021418"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s1q", + "resolution":1.127, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-17035"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s43", + "resolution":1.11, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00024661"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s27", + "resolution":1.126, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1262398530"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s36", + "resolution":1.058, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434938"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s2m", + "resolution":1.136, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z56827661"}, + { + "experimental_method":["X-ray 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"resolution":1.68, + "title":"Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in absence of DTT."}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7sgw", "resolution":1.95, - "title":"Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265"}, + "title":"Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder630 inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7d7l", - "resolution":2.11, - "title":"The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155"}, + "pdb_id":"7sgu", + "resolution":1.79, + "title":"Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder608 inhibitor"}, { "experimental_method":["X-ray diffraction"], - "pdb_id":"7m1y", - "resolution":2.02, - "title":"The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with ebselen"}, + "pdb_id":"7sgv", + "resolution":2.0, + "title":"Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder630 inhibitor"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7bv1", - "resolution":2.8, - "title":"Cryo-EM structure of the apo nsp12-nsp7-nsp8 complex"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7jz0", + "resolution":2.15, + "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1) and S-Adenosyl-L-homocysteine (SAH)."}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7btf", - "resolution":2.95, - "title":"SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7jyy", + "resolution":2.05, + "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM)."}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7btf", - "resolution":2.95, - "title":"SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7diy", + "resolution":2.693, + "title":"Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-exoribonuclease domain"}, { - "experimental_method":["Electron Microscopy"], - "pdb_id":"7d4f", - "resolution":2.57, - "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to suramin"}, + "experimental_method":["X-ray diffraction"], + "pdb_id":"7dk1", + "resolution":1.902, + "title":"Crystal structure of Zinc bound SARS-CoV-2 main protease"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s1e", + "resolution":1.172, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with AB-601_30915014"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s18", + "resolution":1.13, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-321461"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s34", + "resolution":1.057, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434941"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s42", + "resolution":1.09, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023833"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s1c", + "resolution":1.174, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z3034471507"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s1i", + "resolution":1.068, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-301084"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"5s1o", + "resolution":1.09, + "title":"PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STL414928"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7qci", + "resolution":1.76, + "title":"Structure of SARS-CoV-2 Papain-like Protease bound to N-(3,4-dihydroxybenzylidene)-thiosemicarbazone"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7qcj", + "resolution":1.84, + "title":"Structure of SARS-CoV-2 Papain-like Protease bound to N-(2,4-dihydroxybenzylidene)-thiosemicarbazone"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7qcm", + "resolution":1.77, + "title":"Structure of SARS-CoV-2 Papain-like Protease bound to N-(3-methoxy-4-hydroxy-acetophenone)thiosemicarbazone"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7qch", + "resolution":1.88, + "title":"Structure of SARS-CoV-2 Papain-like Protease bound to N-(3,5-dimethoxy-4-hydroxybenzyliden)thiosemicarbazone"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7qck", + "resolution":1.92, + "title":"Structure of SARS-CoV-2 Papain-like Protease bound to N-(2,5-dihydroxybenzylidene)-thiosemicarbazone"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7ult", + "resolution":1.9, + "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer Apo-Form."}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7ult", + "resolution":1.9, + "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer Apo-Form."}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7diy", + "resolution":2.693, + "title":"Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-exoribonuclease domain"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7mc6", + "resolution":2.1, + "title":"Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex containing Mg2+ ion"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7mc6", + "resolution":2.1, + "title":"Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex containing Mg2+ ion"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7mc5", + "resolution":1.64, + "title":"Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex"}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7mc5", + "resolution":1.64, + "title":"Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7dte", - "resolution":3.0, - "title":"SARS-CoV-2 RdRP catalytic complex with T33-1 RNA"}, + "pdb_id":"7uo9", + "resolution":3.13, + "title":"SARS-CoV-2 replication-transcription complex bound to UTP, in a pre-catalytic state"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7dte", - "resolution":3.0, - "title":"SARS-CoV-2 RdRP catalytic complex with T33-1 RNA"}, + "pdb_id":"7uo4", + "resolution":3.38, + "title":"SARS-CoV-2 replication-transcription complex bound to Remdesivir triphosphate, in a pre-catalytic state"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7dte", - "resolution":3.0, - "title":"SARS-CoV-2 RdRP catalytic complex with T33-1 RNA"}, + "pdb_id":"7uo4", + "resolution":3.38, + "title":"SARS-CoV-2 replication-transcription complex bound to Remdesivir triphosphate, in a pre-catalytic state"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7bzf", - "resolution":3.26, - "title":"COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex"}, + "pdb_id":"7uoe", + "resolution":2.67, + "title":"SARS-CoV-2 replication-transcription complex bound to CTP, in a pre-catalytic state"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7b3d", - "resolution":2.8, - "title":"Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with AMP at position -4 (structure 3)"}, + "pdb_id":"7uoe", + "resolution":2.67, + "title":"SARS-CoV-2 replication-transcription complex bound to CTP, in a pre-catalytic state"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7b3d", - "resolution":2.8, - "title":"Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with AMP at position -4 (structure 3)"}, + "pdb_id":"7uob", + "resolution":2.68, + "title":"SARS-CoV-2 replication-transcription complex bound to GTP, in a pre-catalytic state"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7b3b", - "resolution":3.1, - "title":"Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -3 (structure 1)"}, + "pdb_id":"7uob", + "resolution":2.68, + "title":"SARS-CoV-2 replication-transcription complex bound to GTP, in a pre-catalytic state"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7b3c", - "resolution":3.4, - "title":"Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -4 (structure 2)"}, + "pdb_id":"7uo9", + "resolution":3.13, + "title":"SARS-CoV-2 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"pdb_id":"7uoe", + "resolution":2.67, + "title":"SARS-CoV-2 replication-transcription complex bound to CTP, in a pre-catalytic state"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7b3c", - "resolution":3.4, - "title":"Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -4 (structure 2)"}, + "pdb_id":"7uob", + "resolution":2.68, + "title":"SARS-CoV-2 replication-transcription complex bound to GTP, in a pre-catalytic state"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7bv2", - "resolution":2.5, - "title":"The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP)"}, + "pdb_id":"7dok", + "resolution":2.73, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7bv2", - "resolution":2.5, - "title":"The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP)"}, + "pdb_id":"7dok", + "resolution":2.73, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7bv2", - "resolution":2.5, - "title":"The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP)"}, + "pdb_id":"7dok", + "resolution":2.73, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir"}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7ed5", - "resolution":2.98, - "title":"A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase"}, + "pdb_id":"7doi", + "resolution":2.6, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir."}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7ed5", - "resolution":2.98, - "title":"A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase"}, + "pdb_id":"7doi", + "resolution":2.6, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir."}, { "experimental_method":["Electron Microscopy"], - "pdb_id":"7ed5", - "resolution":2.98, - "title":"A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase"}, + "pdb_id":"7doi", + "resolution":2.6, + "title":"Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir."}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7jz0", + "resolution":2.15, + "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1) and S-Adenosyl-L-homocysteine (SAH)."}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7jz0", + "resolution":2.15, + "title":"Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1) and S-Adenosyl-L-homocysteine (SAH)."}, + { + "experimental_method":["X-ray diffraction"], + "pdb_id":"7jyy", + 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b/test/jalview/fts/threedbeacons/p38398_tdb_fts_query_resp.txt index db83e97..f3bab0f 100644 --- a/test/jalview/fts/threedbeacons/p38398_tdb_fts_query_resp.txt +++ b/test/jalview/fts/threedbeacons/p38398_tdb_fts_query_resp.txt @@ -1 +1 @@ -{"uniprot_entry":{"sequence_length":1863,"ac":"P38398","id":"BRCA1_HUMAN"},"structures":[{"model_identifier":"4igk","model_category":"EXPERIMENTALLY DETERMINED","provider":"PDBe","created":"2012-12-17","sequence_identity":100.0,"uniprot_start":1646,"uniprot_end":1859,"resolution":1.75,"coverage":11.49,"model_url":"https://www.ebi.ac.uk/pdbe/static/entry/4igk_updated.cif","model_format":"MMCIF","experimental_method":"X-RAY DIFFRACTION","model_page_url":"https://www.ebi.ac.uk/pdbe/entry/pdb/4igk"},{"model_identifier":"1t15","model_category":"EXPERIMENTALLY 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392)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-357","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-357.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-357","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":1229,"uniprot_end":1428,"coverage":0.10735373054213634,"confidence_type":"pLDDT","confidence_avg_local_score":72.373,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) CCNB1 (P14635; 153 - 433)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 1229 - 1428)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-525","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-525.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-525","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":1649,"uniprot_end":1863,"coverage":0.11540526033279656,"confidence_type":"pLDDT","confidence_avg_local_score":72.122,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 1649 - 1863)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) APLP2 (Q06481; 583 - 763)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-356","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-356.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-356","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":1069,"uniprot_end":1268,"coverage":0.10735373054213634,"confidence_type":"pLDDT","confidence_avg_local_score":69.518,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) CCNB1 (P14635; 153 - 433)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 1069 - 1268)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-539","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-539.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-539","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":269,"uniprot_end":468,"coverage":0.10735373054213634,"confidence_type":"pLDDT","confidence_avg_local_score":66.98,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 269 - 468)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) TOPBP1 (Q92547; 1266 - 1498)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-526","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-526.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-526","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":1649,"uniprot_end":1863,"coverage":0.11540526033279656,"confidence_type":"pLDDT","confidence_avg_local_score":66.632,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 1649 - 1863)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) DCLRE1C (Q96SD1; 464 - 692)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-250","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-250.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-250","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":269,"uniprot_end":468,"coverage":0.10735373054213634,"confidence_type":"pLDDT","confidence_avg_local_score":66.045,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) CDK1 (P06493; 1 - 297)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 269 - 468)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-202","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-202.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-202","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":269,"uniprot_end":468,"coverage":0.10735373054213634,"confidence_type":"pLDDT","confidence_avg_local_score":65.136,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) HERC2 (O95714; 4481 - 4680)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 269 - 468)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-524","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-524.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-524","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":1649,"uniprot_end":1863,"coverage":0.11540526033279656,"confidence_type":"pLDDT","confidence_avg_local_score":64.323,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 1649 - 1863)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) BLM (P54132; 416 - 639)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-544","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-544.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-544","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":1069,"uniprot_end":1268,"coverage":0.10735373054213634,"confidence_type":"pLDDT","confidence_avg_local_score":64.254,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 1069 - 1268)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) TOPBP1 (Q92547; 550 - 744)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-543","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-543.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-543","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":909,"uniprot_end":1108,"coverage":0.10735373054213634,"confidence_type":"pLDDT","confidence_avg_local_score":63.575,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 909 - 1108)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) TOPBP1 (Q92547; 550 - 744)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-538","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-538.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-538","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":269,"uniprot_end":468,"coverage":0.10735373054213634,"confidence_type":"pLDDT","confidence_avg_local_score":63.426,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 269 - 468)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) ADAT2 (Q7Z6V5; 1 - 191)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-203","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-203.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-203","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":269,"uniprot_end":468,"coverage":0.10735373054213634,"confidence_type":"pLDDT","confidence_avg_local_score":61.801,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) HERC2 (O95714; 801 - 1000)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 269 - 468)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-536","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-536.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-536","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":269,"uniprot_end":468,"coverage":0.10735373054213634,"confidence_type":"pLDDT","confidence_avg_local_score":60.708,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 269 - 468)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) UBE2N (P61088; 1 - 152)","chain_ids":["B"]}]}},{"summary":{"model_identifier":"ma-t3vr3-540","model_category":"AB-INITIO","model_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-540.cif","model_format":"MMCIF","model_type":"ATOMIC","model_page_url":"https://modelarchive.org/doi/10.5452/ma-t3vr3-540","provider":"ModelArchive","created":"2022-12-21","sequence_identity":1.0,"uniprot_start":269,"uniprot_end":468,"coverage":0.10735373054213634,"confidence_type":"pLDDT","confidence_avg_local_score":58.292,"oligomeric_state":"HETERODIMER","entities":[{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","identifier":"P38398","identifier_category":"UNIPROT","description":"Homo sapiens (Human) BRCA1 (P38398; 269 - 468)","chain_ids":["A"]},{"entity_type":"POLYMER","entity_poly_type":"POLYPEPTIDE(L)","description":"Homo sapiens (Human) REV1 (Q9UBZ9; 1153 - 1251)","chain_ids":["B"]}]}}]} \ No newline at end of file diff --git a/test/jalview/gui/structurechooser/StructureChooserQuerySourceTest.java b/test/jalview/gui/structurechooser/StructureChooserQuerySourceTest.java index 7107448..16f4b7e 100644 --- a/test/jalview/gui/structurechooser/StructureChooserQuerySourceTest.java +++ b/test/jalview/gui/structurechooser/StructureChooserQuerySourceTest.java @@ -58,6 +58,8 @@ public class StructureChooserQuerySourceTest Sequence seq, upSeq, upSeq_insulin, upSeq_r1ab; + private Sequence upSeq_fer1_maize; + // same set up as for structurechooser test @BeforeMethod(alwaysRun = true) @@ -227,6 +229,14 @@ public class StructureChooserQuerySourceTest upSeq_r1ab .addDBRef(new DBRefEntry("UNIPROT", "0", "P0DTD1", null, true)); upSeq_r1ab.createDatasetSequence(); + upSeq_fer1_maize = new Sequence("FER1_MAIZE", + "MATVLGSPRAPAFFFSSSSLRAAPAPTAVALPAAKVGIMGRSASSRRRLRAQATYNVKLITPEGE" + + "VELQVPDDVYILDQAEEDGIDLPYSCRAGSCSSCAGKVVSGSVDQSDQSYLDDGQIADGWVLTCHAYPTSDV" + + "VIETHKEEELTGA"); + upSeq_fer1_maize.setDescription("Feredoxin 1 Maize"); + upSeq_fer1_maize + .addDBRef(new DBRefEntry("UNIPROT", "0", "P27787", null, true)); + upSeq_fer1_maize.createDatasetSequence(); } @@ -236,10 +246,12 @@ public class StructureChooserQuerySourceTest seq = null; upSeq = null; upSeq_r1ab = null; + upSeq_fer1_maize = null; } @SuppressWarnings("deprecation") - @Test(groups = { "Functional" }) + @Test(groups = + { "Functional" }) public void buildPDBQueryTest() { System.out.println("seq >>>> " + seq); @@ -287,7 +299,8 @@ public class StructureChooserQuerySourceTest } @SuppressWarnings("deprecation") - @Test(groups = { "Functional" }) + @Test(groups = + { "Functional" }) public void buildThreeDBQueryTest() { System.out.println("seq >>>> " + upSeq); @@ -407,6 +420,7 @@ public class StructureChooserQuerySourceTest .getSearchSummary().size()); // NB Could have race condition here List pdb_Queries = tdbquery.buildPDBFTSQueryFor(upResponse); + assertTrue(pdb_Queries.size() > 0); for (String pdb_Query : pdb_Queries) { assertTrue(pdb_Query.trim().length() > 0); @@ -445,7 +459,8 @@ public class StructureChooserQuerySourceTest public Object[][] testUpSeqs() throws Exception { setUp(); - return new Object[][] { { upSeq }, { upSeq_insulin }, { upSeq_r1ab } }; + return new Object[][] { { upSeq }, { upSeq_insulin }, { upSeq_r1ab }, + { upSeq_fer1_maize } }; } @Test(groups = { "Functional" }) -- 1.7.10.2