2A4G
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![BU of 2a4g by Molmil](/molmil-images/mine/2a4g) | Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | Descriptor: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | Authors: | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | Deposit date: | 2005-06-28 | Release date: | 2006-07-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency. Bioorg.Med.Chem.Lett., 15, 2005
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2A4R
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![BU of 2a4r by Molmil](/molmil-images/mine/2a4r) | HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound. | Descriptor: | NS3 protease/helicase, Ns4a peptide, ZINC ION, ... | Authors: | Bogen, S, Saksena, A.K, Arasappan, A, Gu, H, Njoroge, F.G, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V. | Deposit date: | 2005-06-29 | Release date: | 2006-07-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency. Bioorg.Med.Chem.Lett., 15, 2005
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2A4Q
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![BU of 2a4q by Molmil](/molmil-images/mine/2a4q) | HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound. | Descriptor: | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ... | Authors: | Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V. | Deposit date: | 2005-06-29 | Release date: | 2006-07-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease Bioorg.Med.Chem.Lett., 15, 2005
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2WHO
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![BU of 2who by Molmil](/molmil-images/mine/2who) | |
1W22
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![BU of 1w22 by Molmil](/molmil-images/mine/1w22) | Crystal structure of inhibited human HDAC8 | Descriptor: | HISTONE DEACETYLASE 8, N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-2-THIENYL]SULFONYL}AMINO)BENZAMIDE, POTASSIUM ION, ... | Authors: | Vannini, A, Volpari, C, Caroli Casavola, E, Di Marco, S. | Deposit date: | 2004-06-25 | Release date: | 2004-09-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of a Eukaryotic Zn-Dependent Histone Deacetylase,Human Hdac8,Complexed with a Hydroxamic Acid Inhibitor Proc.Natl.Acad.Sci.USA, 101, 2004
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2K1Q
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![BU of 2k1q by Molmil](/molmil-images/mine/2k1q) | NMR structure of hepatitis c virus ns3 serine protease complexed with the non-covalently bound phenethylamide inhibitor | Descriptor: | NS3 PROTEASE, PHENETHYLAMIDE, ZINC ION | Authors: | Eliseo, T, Gallo, M, Pennestri, M, Bazzo, R, Cicero, D.O. | Deposit date: | 2008-03-13 | Release date: | 2009-02-03 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Binding of a noncovalent inhibitor exploiting the S' region stabilizes the hepatitis C virus NS3 protease conformation in the absence of cofactor. J.Mol.Biol., 385, 2009
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1GX5
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![BU of 1gx5 by Molmil](/molmil-images/mine/1gx5) | |
1GX6
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![BU of 1gx6 by Molmil](/molmil-images/mine/1gx6) | |
2XWY
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![BU of 2xwy by Molmil](/molmil-images/mine/2xwy) | Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the Hepatitis C Virus NS5B Polymerase | Descriptor: | (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE | Authors: | Di Marco, S, Baiocco, P. | Deposit date: | 2010-11-06 | Release date: | 2010-12-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase J.Med.Chem., 54, 2011
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1JXP
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![BU of 1jxp by Molmil](/molmil-images/mine/1jxp) | BK STRAIN HEPATITIS C VIRUS (HCV) NS3-NS4A | Descriptor: | NS3 SERINE PROTEASE, NS4A, ZINC ION | Authors: | Yan, Y, Munshi, S, Chen, Z. | Deposit date: | 1997-08-21 | Release date: | 1998-01-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form. Protein Sci., 7, 1998
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3GSZ
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![BU of 3gsz by Molmil](/molmil-images/mine/3gsz) | Structure of the genotype 2B HCV polymerase | Descriptor: | RNA-directed RNA polymerase | Authors: | Rydberg, E.H, Carfi, A. | Deposit date: | 2009-03-27 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for resistance of the genotype 2b hepatitis C virus NS5B polymerase to site A non-nucleoside inhibitors. J.Mol.Biol., 390, 2009
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2BRK
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![BU of 2brk by Molmil](/molmil-images/mine/2brk) | |
2BRL
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![BU of 2brl by Molmil](/molmil-images/mine/2brl) | |
2LFB
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![BU of 2lfb by Molmil](/molmil-images/mine/2lfb) | HOMEODOMAIN FROM RAT LIVER LFB1/HNF1 TRANSCRIPTION FACTOR, NMR, 20 STRUCTURES | Descriptor: | LFB1/HNF1 TRANSCRIPTION FACTOR | Authors: | Schott, O, Billeter, M, Leiting, B, Wider, G, Wuthrich, K. | Deposit date: | 1996-12-12 | Release date: | 1997-03-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The NMR solution structure of the non-classical homeodomain from the rat liver LFB1/HNF1 transcription factor. J.Mol.Biol., 267, 1997
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2WCX
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![BU of 2wcx by Molmil](/molmil-images/mine/2wcx) | |