3CJ5
 
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3H5U
 | | Hepatitis C virus polymerase NS5B with saccharin inhibitor 1 | | Descriptor: | N-({3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Harris, S.F, Ghate, M. | | Deposit date: | 2009-04-22 | | Release date: | 2009-09-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides
Bioorg.Med.Chem.Lett., 19, 2009
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3O8B
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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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2ZKU
 | | Structure of hepatitis C virus NS5B polymerase in a new crystal form | | Descriptor: | ACETIC ACID, GLYCEROL, Genome polyprotein | | Authors: | Biswal, B.K. | | Deposit date: | 2008-03-31 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of Hepatitis C Virus Ns5B Polymerase in a New Crystal Form: Insights Into Oligomerisation and Allosteric Nucleotide Binding Site
To be Published
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2WRM
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2D3U
 | | X-ray crystal structure of hepatitis C virus RNA dependent RNA polymerase in complex with non-nucleoside analogue inhibitor | | Descriptor: | 5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID, polyprotein | | Authors: | Biswal, B.K, Wang, M, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Bedard, J, James, M.N.G. | | Deposit date: | 2005-10-02 | | Release date: | 2006-08-01 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Non-nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal a Novel Mechanism of Inhibition
J.Mol.Biol., 361, 2006
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2FVC
 | | Crystal structure of NS5B BK strain (delta 24) in complex with a 3-(1,1-Dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinone | | Descriptor: | 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one, polyprotein | | Authors: | Concha, N.O, Wonacott, A, Singh, O. | | Deposit date: | 2006-01-30 | | Release date: | 2007-01-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 3-(1,1-dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones, potent inhibitors of hepatitis C virus RNA-dependent RNA polymerase.
J.Med.Chem., 49, 2006
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3O8C
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3MF5
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2JC1
 | | CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB698223 | | Descriptor: | (2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID, RNA-DEPENDENT RNA-POLYMERASE | | Authors: | Wonacott, A, Skarzynski, T, Singh, O.M. | | Deposit date: | 2006-12-18 | | Release date: | 2007-02-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate.
J.Med.Chem., 50, 2007
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1NHU
 | | Hepatitis C virus RNA polymerase in complex with non-nucleoside analogue inhibitor | | Descriptor: | (2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-3-PHENYL-PROPIONIC ACID, HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE | | Authors: | Wang, M, Ng, K.K.S, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bedard, J, Morin, N, Nguyen-Ba, N, Alaoui-Ismaili, M.H, Bethell, R.C, James, M.N.G. | | Deposit date: | 2002-12-19 | | Release date: | 2003-03-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Non-Nucleoside Analogue Inhibitors Bind to an Allosteric Site on
HCV NS5B Polymerase: Crystal Structures and Mechanism of Inhibition
J.Biol.Chem., 278, 2003
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2WCX
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6MVP
 | | HCV NS5B 1b N316 bound to Compound 18 | | Descriptor: | (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid, Genome polyprotein | | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | Deposit date: | 2018-10-26 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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2WHO
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2AX0
 | | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5x) | | Descriptor: | 5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | | Authors: | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | | Deposit date: | 2005-09-02 | | Release date: | 2006-01-24 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
J.Med.Chem., 49, 2006
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2HWI
 | | HCV NS5B allosteric inhibitor complex | | Descriptor: | (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID, RNA-directed RNA polymerase (NS5B) (p68) | | Authors: | Yao, N. | | Deposit date: | 2006-08-01 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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3H5S
 | | Hepatitis C virus polymerase NS5B with saccharin inhibitor | | Descriptor: | (5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one, RNA-directed RNA polymerase | | Authors: | Harris, S.F, Wong, A. | | Deposit date: | 2009-04-22 | | Release date: | 2009-09-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides
Bioorg.Med.Chem.Lett., 19, 2009
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3O8D
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4MK9
 | | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 12 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide) | | Descriptor: | GLYCEROL, N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | | Authors: | Harris, S.F, Wong, A. | | Deposit date: | 2013-09-04 | | Release date: | 2013-10-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
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4MKA
 | | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 13 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1H-isochromen-7-yl}methanesulfonamide, ... | | Authors: | Harris, S.F, Wong, A. | | Deposit date: | 2013-09-04 | | Release date: | 2013-10-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
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4KBI
 | | HCV NS5B GT1B N316Y with CMPD 4 | | Descriptor: | 5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-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 (2.06 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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3CJ4
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4WXP
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4MK8
 | | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 4 (N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide, ... | | Authors: | Harris, S.F, Wong, A. | | Deposit date: | 2013-09-04 | | Release date: | 2013-10-09 | | Last modified: | 2014-01-15 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
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