3UA7
 
 | | Crystal Structure of the Human Fyn SH3 domain in complex with a peptide from the Hepatitis C virus NS5A-protein | | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Martin-Garcia, J.M, Ruiz-Sanz, J, Luque, I, Camara-Artigas, A. | | Deposit date: | 2011-10-21 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The promiscuous binding of the Fyn SH3 domain to a peptide from the NS5A protein.
Acta Crystallogr.,Sect.D, 68, 2012
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2HAI
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2GIQ
 | | Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-2 inhibitor | | Descriptor: | 1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE, RNA-directed RNA polymerase | | Authors: | Harris, S.F. | | Deposit date: | 2006-03-29 | | Release date: | 2007-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Selection and characterization of replicon variants dually resistant to thumb- and palm-binding nonnucleoside polymerase inhibitors of the hepatitis C virus.
J.Virol., 80, 2006
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1GX5
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3CJ2
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4EO6
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4EO8
 | | HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres | | Descriptor: | 5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid, RNA-directed RNA polymerase | | Authors: | Appleby, T.C, Canales, E, Watkins, W.J. | | Deposit date: | 2012-04-13 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4DGY
 | | Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody HCV1, C2 form | | Descriptor: | CHLORIDE ION, E2 peptide, GLYCEROL, ... | | Authors: | Kong, L, Wilson, I.A, Law, M. | | Deposit date: | 2012-01-27 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Structural basis of hepatitis C virus neutralization by broadly neutralizing antibody HCV1.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DGV
 | | Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody HCV1, P2(1) form | | Descriptor: | E2 peptide, HCV1 Heavy Chain, HCV1 Light Chain, ... | | Authors: | Kong, L, Wilson, I.A, Law, M. | | Deposit date: | 2012-01-26 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.805 Å) | | Cite: | Structural basis of hepatitis C virus neutralization by broadly neutralizing antibody HCV1.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1GX6
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4KB7
 | | HCV NS5B GT1B N316Y with CMPD 32 | | Descriptor: | 5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3R)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase | | Authors: | Williams, S.P, Kahler, K.M, Shotwell, J.B. | | Deposit date: | 2013-04-23 | | Release date: | 2013-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
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3FRZ
 | | Crystal Structure of HCV NS5B RNA polymerase in complex with PF868554 | | Descriptor: | (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one, BETA-MERCAPTOETHANOL, N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide, ... | | Authors: | Parge, H.E. | | Deposit date: | 2009-01-08 | | Release date: | 2009-03-10 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of (R)-6-cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydropyran-2-one (PF-00868554) as a potent and orally available hepatitis C virus polymerase inhibitor.
J.Med.Chem., 52, 2009
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3CIZ
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3CJ3
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3VQS
 | | Crystal structure of HCV NS5B RNA polymerase with a novel piperazine inhibitor | | Descriptor: | (2R)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide, CHLORIDE ION, RNA-directed RNA polymerase | | Authors: | Adachi, T, Doi, S, Ando, I, Sugimoto, K, Orita, T, Nomura, A, Kamada, M. | | Deposit date: | 2012-03-30 | | Release date: | 2012-08-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Preclinical Characterization of JTK-853, a Novel Nonnucleoside Inhibitor of the Hepatitis C Virus RNA-Dependent RNA Polymerase.
Antimicrob.Agents Chemother., 56, 2012
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3E51
 | | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | | Deposit date: | 2008-08-12 | | Release date: | 2009-08-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents.
Bioorg.Med.Chem.Lett., 18, 2008
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4MKB
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4IH5
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1C2P
 | | HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE | | Descriptor: | RNA-DEPENDENT RNA POLYMERASE | | Authors: | Lesburg, C.A, Cable, M.B, Ferrari, E, Hong, Z, Mannarino, A.F, Weber, P.C. | | Deposit date: | 1999-07-26 | | Release date: | 2000-04-05 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the RNA-dependent RNA polymerase from hepatitis C virus reveals a fully encircled active site.
Nat.Struct.Biol., 6, 1999
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2GIR
 | | Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-1 inhibitor | | Descriptor: | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA-directed RNA polymerase | | Authors: | Harris, S.F. | | Deposit date: | 2006-03-29 | | Release date: | 2007-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selection and characterization of replicon variants dually resistant to thumb- and palm-binding nonnucleoside polymerase inhibitors of the hepatitis C virus.
J.Virol., 80, 2006
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3H98
 | | Crystal structure of HCV NS5b 1b with (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyrimidine derivative | | Descriptor: | GLYCEROL, N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Wang, G, Lei, H, Wang, X, Das, D, Mackinnon, C, Montalbetti, C.A.G, Mears, R, Gai, X, Bailey, S, Ruhrmund, D, Hooi, L, Misialek, S, Rajagopalan, R, Cheng, R.K.Y, Barker, J.L, Felicetti, B, Stoycheva, A, Buckman, B, Kossen, K, Seiwert, S, Beigelmana, L. | | Deposit date: | 2009-04-30 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives.
Bioorg.Med.Chem.Lett., 19, 2009
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3H2L
 | | Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor | | Descriptor: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase | | Authors: | Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R. | | Deposit date: | 2009-04-14 | | Release date: | 2009-12-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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3CJ0
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3CJ5
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6W4G
 | | Hepatitis C virus polymerase NS5B with RO inhibitor for SAR studies | | Descriptor: | 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile, NS5B | | Authors: | Harris, S.F. | | Deposit date: | 2020-03-10 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization.
J.Chem.Inf.Model., 60, 2020
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