3SU6
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![BU of 3su6 by Molmil](/molmil-images/mine/3su6) | Crystal structure of NS3/4A protease variant A156T in complex with vaniprevir | 分子名称: | (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, GLYCEROL, NS3 protease, ... | 著者 | Schiffer, C.A, Romano, K.P. | 登録日 | 2011-07-11 | 公開日 | 2012-09-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog., 8, 2012
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3SU0
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![BU of 3su0 by Molmil](/molmil-images/mine/3su0) | Crystal structure of NS3/4A protease variant R155K in complex with danoprevir | 分子名称: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, Genome polyprotein, SULFATE ION, ... | 著者 | Schiffer, C.A, Romano, K.P. | 登録日 | 2011-07-11 | 公開日 | 2012-09-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.159 Å) | 主引用文献 | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog., 8, 2012
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3M5L
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![BU of 3m5l by Molmil](/molmil-images/mine/3m5l) | Crystal structure of HCV NS3/4A protease in complex with ITMN-191 | 分子名称: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3/4A, SULFATE ION, ... | 著者 | Schiffer, C.A, Romano, K.P. | 登録日 | 2010-03-12 | 公開日 | 2010-11-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding. Proc.Natl.Acad.Sci.USA, 107, 2010
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3SU3
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![BU of 3su3 by Molmil](/molmil-images/mine/3su3) | Crystal structure of NS3/4A protease in complex with vaniprevir | 分子名称: | (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, NS4A protein, ... | 著者 | Schiffer, C.A, Romano, K.P. | 登録日 | 2011-07-11 | 公開日 | 2012-09-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog., 8, 2012
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3RC6
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![BU of 3rc6 by Molmil](/molmil-images/mine/3rc6) | |
3SU1
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![BU of 3su1 by Molmil](/molmil-images/mine/3su1) | Crystal structure of NS3/4A protease variant D168A in complex with danoprevir | 分子名称: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, Genome polyprotein, SULFATE ION, ... | 著者 | Schiffer, C.A, Romano, K.P. | 登録日 | 2011-07-11 | 公開日 | 2012-09-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.399 Å) | 主引用文献 | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog., 8, 2012
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3SV6
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![BU of 3sv6 by Molmil](/molmil-images/mine/3sv6) | Crystal structure of NS3/4A protease in complex with Telaprevir | 分子名称: | (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, GLYCEROL, NS3 protease, ... | 著者 | Schiffer, C.A, Romano, K.P. | 登録日 | 2011-07-12 | 公開日 | 2012-09-05 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog., 8, 2012
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7MM8
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![BU of 7mm8 by Molmil](/molmil-images/mine/7mm8) | Crystal structure of HCV NS3/4A protease in complex with NR02-08 | 分子名称: | (1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3/4a protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2021-04-29 | 公開日 | 2022-03-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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3SU2
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![BU of 3su2 by Molmil](/molmil-images/mine/3su2) | Crystal structure of NS3/4A protease variant A156T in complex with danoprevir | 分子名称: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, Genome polyprotein, SULFATE ION, ... | 著者 | Schiffer, C.A, Romano, K.P. | 登録日 | 2011-07-11 | 公開日 | 2012-09-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.496 Å) | 主引用文献 | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog., 8, 2012
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3SU5
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![BU of 3su5 by Molmil](/molmil-images/mine/3su5) | Crystal structure of NS3/4A protease variant D168A in complex with vaniprevir | 分子名称: | (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, NS4A protein, ... | 著者 | Schiffer, C.A, Romano, K.P. | 登録日 | 2011-07-11 | 公開日 | 2012-09-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog., 8, 2012
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3SV7
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![BU of 3sv7 by Molmil](/molmil-images/mine/3sv7) | Crystal structure of NS3/4A protease variant R155K in complex with Telaprevir | 分子名称: | (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, NS3 protease, NS4A protein, ... | 著者 | Schiffer, C.A, Romano, K.P. | 登録日 | 2011-07-12 | 公開日 | 2012-09-05 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog., 8, 2012
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7MME
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![BU of 7mme by Molmil](/molmil-images/mine/7mme) | |
6DIQ
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![BU of 6diq by Molmil](/molmil-images/mine/6diq) | |
7L7P
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![BU of 7l7p by Molmil](/molmil-images/mine/7l7p) | |
7L7N
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![BU of 7l7n by Molmil](/molmil-images/mine/7l7n) | Crystal structure of HCV NS3/4A D168A protease in complex with NR02-59 | 分子名称: | 1,2-ETHANEDIOL, 1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3 protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2020-12-29 | 公開日 | 2021-09-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J.Med.Chem., 64, 2021
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3SV9
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![BU of 3sv9 by Molmil](/molmil-images/mine/3sv9) | Crystal structure of NS3/4A protease variant A156T in complex with Telaprevir | 分子名称: | (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, GLYCEROL, NS3 protease, ... | 著者 | Schiffer, C.A, Romano, K.P. | 登録日 | 2011-07-12 | 公開日 | 2012-09-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog., 8, 2012
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3M5O
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![BU of 3m5o by Molmil](/molmil-images/mine/3m5o) | |
4NWK
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![BU of 4nwk by Molmil](/molmil-images/mine/4nwk) | Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide | 分子名称: | GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ... | 著者 | Muckelbauer, J.K, Klei, H.E. | 登録日 | 2013-12-06 | 公開日 | 2014-03-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
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7MMA
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![BU of 7mma by Molmil](/molmil-images/mine/7mma) | Crystal structure of HCV NS3/4A protease in complex with NR01-145 | 分子名称: | (2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2021-04-29 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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3M5M
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![BU of 3m5m by Molmil](/molmil-images/mine/3m5m) | |
7MML
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![BU of 7mml by Molmil](/molmil-images/mine/7mml) | Crystal structure of HCV NS3/4A D168A protease in complex with NR01-145 | 分子名称: | (2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, NS3 protease, SULFATE ION, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2021-04-29 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7L7O
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![BU of 7l7o by Molmil](/molmil-images/mine/7l7o) | Crystal structure of HCV NS3/4A D168A protease in complex with NR04-49 | 分子名称: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2020-12-29 | 公開日 | 2021-09-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J.Med.Chem., 64, 2021
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7MMH
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![BU of 7mmh by Molmil](/molmil-images/mine/7mmh) | |
6DIR
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![BU of 6dir by Molmil](/molmil-images/mine/6dir) | Crystal structure of HCV NS3/4A protease in complex with P4-P5-2 (AJ-67) | 分子名称: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide, NS3 protease, SULFATE ION, ... | 著者 | Matthew, A.N, Schiffer, C.A. | 登録日 | 2018-05-23 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | 主引用文献 | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
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6CVX
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![BU of 6cvx by Molmil](/molmil-images/mine/6cvx) | |