6VJT
 
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6RFG
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7XS8
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7XSC
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7XSA
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7XSB
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5Y2F
 | | Human SIRT6 in complex with allosteric activator MDL-801 | | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, 9-mer peptide QTARKSTGG, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhang, J, Huang, Z, Song, K. | | Deposit date: | 2017-07-25 | | Release date: | 2018-11-07 | | Last modified: | 2018-11-28 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Identification of a cellularly active SIRT6 allosteric activator.
Nat. Chem. Biol., 14, 2018
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6NYG
 | | Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2a (OA-2a) | | Descriptor: | Vacuolating cytotoxin autotransporter | | Authors: | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | | Deposit date: | 2019-02-11 | | Release date: | 2019-03-27 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6NYF
 | | Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 1 (OA-1) | | Descriptor: | Vacuolating cytotoxin autotransporter | | Authors: | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | | Deposit date: | 2019-02-11 | | Release date: | 2019-03-27 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6NYM
 | | Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2d (OA-2d) | | Descriptor: | Vacuolating cytotoxin autotransporter | | Authors: | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | | Deposit date: | 2019-02-11 | | Release date: | 2019-03-27 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6NYJ
 | | Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2b (OA-2b) | | Descriptor: | Vacuolating cytotoxin autotransporter | | Authors: | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | | Deposit date: | 2019-02-11 | | Release date: | 2019-03-27 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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3QU8
 | | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-(4-Nitrobenzyl)pyridine. | | Descriptor: | 4-(4-nitrobenzyl)pyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | | Deposit date: | 2011-02-23 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Mol.Pharmacol., 80, 2011
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6NYL
 | | Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2c (OA-2c) | | Descriptor: | Vacuolating cytotoxin autotransporter | | Authors: | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | | Deposit date: | 2019-02-11 | | Release date: | 2019-03-27 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6NYN
 | | Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2e (OA-2e) | | Descriptor: | Vacuolating cytotoxin autotransporter | | Authors: | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | | Deposit date: | 2019-02-11 | | Release date: | 2019-03-27 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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3QOA
 | | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-Benzylpyridine. | | Descriptor: | 4-benzylpyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | | Deposit date: | 2011-02-09 | | Release date: | 2011-09-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Mol.Pharmacol., 80, 2011
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5H19
 | | EED in complex with PRC2 allosteric inhibitor EED162 | | Descriptor: | 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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4JLT
 | | Crystal structure of P450 2B4(H226Y) in complex with paroxetine | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ... | | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | | Deposit date: | 2013-03-13 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States.
J.Pharmacol.Exp.Ther., 346, 2013
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4MT4
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7JU8
 | | X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine | | Descriptor: | 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ... | | Authors: | Farrow, N.A. | | Deposit date: | 2020-08-19 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Indole Inhibitors of MMP-13 for Arthritic Disorders
Acs Omega, 6, 2021
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7YV4
 | | Crystal structure of human UCHL3 in complex with Farrerol | | Descriptor: | (2~{S})-2-(4-hydroxyphenyl)-6,8-dimethyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, Ubiquitin carboxyl-terminal hydrolase isozyme L3 | | Authors: | Mao, Z.Y, Xu, X.J, Zhang, W.T. | | Deposit date: | 2022-08-18 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Farrerol directly activates the deubiqutinase UCHL3 to promote DNA repair and reprogramming when mediated by somatic cell nuclear transfer.
Nat Commun, 14, 2023
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7LB7
 | | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with Telaprevir | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A.Y, Kneller, D.W, Coates, L. | | Deposit date: | 2021-01-07 | | Release date: | 2021-01-20 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallography.
J.Med.Chem., 64, 2021
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4H1N
 | | Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti-platelet Drug Clopidogrel | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Clopidogrel, Cytochrome P450 2B4, ... | | Authors: | Shah, M.B, Jang, H.H, Stout, C.D, Halpert, J.R. | | Deposit date: | 2012-09-10 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | X-ray crystal structure of the cytochrome P450 2B4 active site mutant F297A in complex with clopidogrel: Insights into compensatory rearrangements of the binding pocket.
Arch.Biochem.Biophys., 530, 2013
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6WIQ
 | | Crystal structure of the co-factor complex of NSP7 and the C-terminal domain of NSP8 from SARS CoV-2 | | Descriptor: | Non-structural protein 7, Non-structural protein 8 | | Authors: | Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
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6WQD
 | | The 1.95 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS-CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 7, Non-structural protein 8 | | Authors: | Kim, Y, Wilamowski, M, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-28 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
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7SI9
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332 | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-10-12 | | Release date: | 2021-10-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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