7S75
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![BU of 7s75 by Molmil](/molmil-images/mine/7s75) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42 | 分子名称: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S74
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7S6Z
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![BU of 7s6z by Molmil](/molmil-images/mine/7s6z) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33 | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S73
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![BU of 7s73 by Molmil](/molmil-images/mine/7s73) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37 | 分子名称: | (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name), 3C-like proteinase | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | 登録日 | 2021-09-15 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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8HZR
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![BU of 8hzr by Molmil](/molmil-images/mine/8hzr) | Crystal structure of SARS-Cov-2 main protease S46F mutant 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 nsp5 | 著者 | Zeng, X.Y, Zhang, J, Li, J. | 登録日 | 2023-01-09 | 公開日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
S46F mutant in complex with PF07321332 To Be Published
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8INW
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![BU of 8inw by Molmil](/molmil-images/mine/8inw) | |
8IG6
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![BU of 8ig6 by Molmil](/molmil-images/mine/8ig6) | |
8INQ
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8INT
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![BU of 8int by Molmil](/molmil-images/mine/8int) | |
8IGA
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8INU
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8INX
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![BU of 8inx by Molmil](/molmil-images/mine/8inx) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor ensitrelvir | 分子名称: | 3C-like proteinase, 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, M, Liu, X. | 登録日 | 2023-03-10 | 公開日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor ensitrelvir To Be Published
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8IG5
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![BU of 8ig5 by Molmil](/molmil-images/mine/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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8IG7
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8IG9
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![BU of 8ig9 by Molmil](/molmil-images/mine/8ig9) | |
8IG8
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![BU of 8ig8 by Molmil](/molmil-images/mine/8ig8) | |
8IGB
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8J37
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![BU of 8j37 by Molmil](/molmil-images/mine/8j37) | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF00835231 | 分子名称: | 3C-like proteinase nsp5, 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 | 著者 | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | 登録日 | 2023-04-16 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
K90R mutant in complex with PF00835231 To Be Published
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8J39
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![BU of 8j39 by Molmil](/molmil-images/mine/8j39) | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231 | 分子名称: | 3C-like proteinase nsp5, 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 | 著者 | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | 登録日 | 2023-04-16 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
V186F mutant in complex with PF00835231 To Be Published
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8JCL
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8JPQ
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![BU of 8jpq by Molmil](/molmil-images/mine/8jpq) | SARS-CoV-2 Mpro in complex with D-5-96 | 分子名称: | ACETIC ACID, ALANINE, ISOLEUCINE, ... | 著者 | Liu, M, Huang, H. | 登録日 | 2023-06-12 | 公開日 | 2023-08-23 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
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8JOP
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![BU of 8jop by Molmil](/molmil-images/mine/8jop) | Crystal structure of the SARS-CoV-2 main protease in complex with 11a | 分子名称: | 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate | 著者 | Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J. | 登録日 | 2023-06-08 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease. Bioorg.Med.Chem.Lett., 92, 2023
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8J3B
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![BU of 8j3b by Molmil](/molmil-images/mine/8j3b) | Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231 | 分子名称: | 3C-like proteinase nsp5, 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 | 著者 | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | 登録日 | 2023-04-16 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
S46F mutant in complex with PF00835231 To Be Published
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8J38
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![BU of 8j38 by Molmil](/molmil-images/mine/8j38) | Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231 | 分子名称: | 3C-like proteinase nsp5, 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 | 著者 | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | 登録日 | 2023-04-16 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
P132H mutant in complex with PF00835231 To Be Published
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8J3A
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![BU of 8j3a by Molmil](/molmil-images/mine/8j3a) | Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF00835231 | 分子名称: | 3C-like proteinase nsp5, 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 | 著者 | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | 登録日 | 2023-04-16 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
Y54C mutant in complex with PF00835231 To Be Published
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