3P8N
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![BU of 3p8n by Molmil](/molmil-images/mine/3p8n) | Crystal structure of HCV NS3/NS4A protease complexed with BI 201335 | 分子名称: | HCV non-structural protein 4A, HCV serine protease NS3, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-L-prolinamide, ... | 著者 | Lemke, C.T. | 登録日 | 2010-10-14 | 公開日 | 2011-01-26 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335. J.Biol.Chem., 286, 2011
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4A1X
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![BU of 4a1x by Molmil](/molmil-images/mine/4a1x) | Co-Complex structure of NS3-4A protease with the inhibitory peptide CP5-46-A (Synchrotron data) | 分子名称: | CHLORIDE ION, CP5-46-A PEPTIDE, NONSTRUCTURAL PROTEIN 4A, ... | 著者 | Schmelz, S, Kuegler, J, Collins, J, Heinz, D. | 登録日 | 2011-09-20 | 公開日 | 2012-09-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants. J.Biol.Chem., 287, 2012
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4I33
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![BU of 4i33 by Molmil](/molmil-images/mine/4i33) | Crystal structure of HCV NS3/4A R155K protease complexed with compound 4 | 分子名称: | (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ... | 著者 | Lemke, C.T. | 登録日 | 2012-11-23 | 公開日 | 2013-01-02 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9001 Å) | 主引用文献 | Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance. J.Biol.Chem., 288, 2013
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4I31
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![BU of 4i31 by Molmil](/molmil-images/mine/4i31) | Crystal structure of HCV NS3/NS4A protease complexed with compound 4 | 分子名称: | (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ... | 著者 | Lemke, C.T. | 登録日 | 2012-11-23 | 公開日 | 2013-01-02 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9301 Å) | 主引用文献 | Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance. J.Biol.Chem., 288, 2013
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4JMY
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![BU of 4jmy by Molmil](/molmil-images/mine/4jmy) | |
4A1T
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![BU of 4a1t by Molmil](/molmil-images/mine/4a1t) | Co-Complex of the of NS3-4A protease with the inhibitory peptide CP5- 46-A (in-House data) | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, CHLORIDE ION, ... | 著者 | Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W. | 登録日 | 2011-09-19 | 公開日 | 2012-09-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants. J.Biol.Chem., 287, 2012
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1DY9
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![BU of 1dy9 by Molmil](/molmil-images/mine/1dy9) | Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (inhibitor I) | 分子名称: | N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70), ... | 著者 | Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M. | 登録日 | 2000-01-31 | 公開日 | 2001-01-28 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes J.Biol.Chem., 275, 2000
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4A1V
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![BU of 4a1v by Molmil](/molmil-images/mine/4a1v) | Co-Complex structure of NS3-4A protease with the optimized inhibitory peptide CP5-46A-4D5E | 分子名称: | CHLORIDE ION, CP5-46A-4D5E, NON-STRUCTURAL PROTEIN 4A, ... | 著者 | Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W. | 登録日 | 2011-09-20 | 公開日 | 2012-09-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants. J.Biol.Chem., 287, 2012
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4KTC
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![BU of 4ktc by Molmil](/molmil-images/mine/4ktc) | NS3/NS4A protease with inhibitor | 分子名称: | (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ... | 著者 | Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J. | 登録日 | 2013-05-20 | 公開日 | 2013-08-07 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease. J.Med.Chem., 57, 2014
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1W3C
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![BU of 1w3c by Molmil](/molmil-images/mine/1w3c) | Crystal structure of the Hepatitis C Virus NS3 Protease in complex with a peptidomimetic inhibitor | 分子名称: | 3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARB ONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID, 3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID, NONSTRUCTURAL PROTEIN NS4A (P4), ... | 著者 | Di Marco, S, Volpari, C. | 登録日 | 2004-07-14 | 公開日 | 2004-12-09 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Design and Enzyme-Bound Crystal Structure of Indoline Based Peptidomimetic Inhibitors of Hepatitis C Virus Ns3 Protease J.Med.Chem., 47, 2004
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3P8O
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![BU of 3p8o by Molmil](/molmil-images/mine/3p8o) | Crystal structure of HCV NS3/NS4A protease complexed with des-bromine analogue of BI 201335 | 分子名称: | HCV non-structural protein 4A, HCV serine protease NS3, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide, ... | 著者 | Lemke, C.T. | 登録日 | 2010-10-14 | 公開日 | 2011-01-26 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335. J.Biol.Chem., 286, 2011
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4I32
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![BU of 4i32 by Molmil](/molmil-images/mine/4i32) | Crystal structure of HCV NS3/4A D168V protease complexed with compound 4 | 分子名称: | (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ... | 著者 | Lemke, C.T. | 登録日 | 2012-11-23 | 公開日 | 2013-01-02 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3001 Å) | 主引用文献 | Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance. J.Biol.Chem., 288, 2013
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1DY8
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![BU of 1dy8 by Molmil](/molmil-images/mine/1dy8) | Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (inhibitor II) | 分子名称: | N-[(benzyloxy)carbonyl]-L-isoleucyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70) | 著者 | Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M. | 登録日 | 2000-01-31 | 公開日 | 2001-01-28 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes J.Biol.Chem., 275, 2000
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1DXP
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![BU of 1dxp by Molmil](/molmil-images/mine/1dxp) | Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (apo structure) | 分子名称: | GLYCEROL, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70), ... | 著者 | Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M. | 登録日 | 2000-01-13 | 公開日 | 2001-01-12 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes J.Biol.Chem., 275, 2000
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3OYP
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![BU of 3oyp by Molmil](/molmil-images/mine/3oyp) | HCV NS3/4A in complex with ligand 3 | 分子名称: | Non-structural protein 4A, Peptidomimetic inhibitor, Serine protease NS3, ... | 著者 | Hagel, M, Niu, D, St.Martin, T, Sheets, M.P, Qiao, L, Bernard, H, Karp, R.M, Zhu, Z, Labenski, M.T, Chaturvedi, P.C, Nacht, M, Westlin, W.F, Petter, R.C, Singh, J. | 登録日 | 2010-09-23 | 公開日 | 2010-12-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Selective irreversible inhibition of a protease by targeting a noncatalytic cysteine. Nat.Chem.Biol., 7, 2011
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2K8J
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![BU of 2k8j by Molmil](/molmil-images/mine/2k8j) | |