6CCW
 
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8IG5
 | | Crystal structure of SARS main protease in complex with GC376 | | 分子名称: | 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | 著者 | Lin, C, Zhang, J, Li, J. | | 登録日 | 2023-02-20 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
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8IG6
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6O2L
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6XJ6
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6XJ7
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8GKD
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8GLD
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8HUS
 | | Crystal structure of SARS main protease in complex with S217622 | | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | 著者 | Lin, C, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
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8HUT
 | | Crystal structure of MERS main protease in complex with S217622 | | 分子名称: | 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ORF1a | | 著者 | Lin, C, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
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4LMY
 | | Structure of GAS PerR-Zn-Zn | | 分子名称: | Peroxide stress regulator PerR, FUR family, ZINC ION | | 著者 | Lin, C.S, Chao, S.Y, Nix, J.C, Tseng, H.L, Tsou, C.C, Fei, C.H, Ciou, H.S, Jeng, U.S, Lin, Y.S, Chuang, W.J, Wu, J.J, Wang, S. | | 登録日 | 2013-07-11 | | 公開日 | 2014-04-02 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Distinct structural features of the peroxide response regulator from group a streptococcus drive DNA binding
Plos One, 9, 2014
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3T8S
 | | Apo and InsP3-bound Crystal Structures of the Ligand-Binding Domain of an InsP3 Receptor | | 分子名称: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1 | | 著者 | Lin, C, Baek, K, Lu, Z. | | 登録日 | 2011-08-01 | | 公開日 | 2011-09-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.77 Å) | | 主引用文献 | Apo and InsP(3)-bound crystal structures of the ligand-binding domain of an InsP(3) receptor.
Nat.Struct.Mol.Biol., 18, 2011
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7VTC
 | | Crystal structure of MERS main protease in complex with PF07321332 | | 分子名称: | (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 | | 著者 | Lin, C, Zhong, F.L, Zhou, X.L, Zhang, J, Li, J. | | 登録日 | 2021-10-28 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.53865623 Å) | | 主引用文献 | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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7VLO
 | | Crystal structure of SARS coronavirus main protease in complex with PF07321332 | | 分子名称: | (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 | | 著者 | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | | 登録日 | 2021-10-05 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.0227 Å) | | 主引用文献 | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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7WQI
 | | Crystal structure of SARS coronavirus main protease in complex with PF07304814 | | 分子名称: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | 著者 | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | | 登録日 | 2022-01-25 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Crystal structure of SARS coronavirus main protease in complex with PF07304814
To Be Published
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7XRY
 | | Crystal structure of MERS main protease in complex with inhibitor YH-53 | | 分子名称: | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a | | 著者 | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | | 登録日 | 2022-05-12 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
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7YGQ
 | | Crystal structure of SARS main protease in complex with inhibitor YH-53 | | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | 著者 | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | | 登録日 | 2022-07-12 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
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7WQJ
 | | Crystal structure of MERS main protease in complex with PF07304814 | | 分子名称: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | 著者 | Lin, C, Zhang, J, Li, J. | | 登録日 | 2022-01-25 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
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2MG8
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4RPQ
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4YU1
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4YX4
 | | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1). | | 分子名称: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | | 著者 | Rechlin, C, Heine, A, Klebe, G. | | 登録日 | 2015-03-22 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | | 主引用文献 | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
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3KLQ
 | | Crystal Structure of the Minor Pilin FctB from Streptococcus pyogenes 90/306S | | 分子名称: | GLYCEROL, Putative pilus anchoring protein | | 著者 | Linke, C, Young, P.G, Bunker, R.D, Caradoc-Davies, T.T, Baker, E.N. | | 登録日 | 2009-11-08 | | 公開日 | 2010-04-28 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of the minor pilin FctB reveals determinants of Group A streptococcal pilus anchoring
J.Biol.Chem., 285, 2010
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6HKR
 | | Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC271. | | 分子名称: | 1,2-ETHANEDIOL, 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2, ... | | 著者 | Tomlinson, C, Chisholm, D, Whiting, A, Pohl, E. | | 登録日 | 2018-09-07 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Novel Fluorescence Competition Assay for Retinoic Acid Binding Proteins.
ACS Med Chem Lett, 9, 2018
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4YS1
 | | Human Aldose Reductase complexed with a ligand with an IDD structure (2) at 1.07 A. | | 分子名称: | 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Rechlin, C, Heine, A, Klebe, G. | | 登録日 | 2015-03-16 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis.
ACS Chem. Biol., 12, 2017
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