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PDB: 116 件
3UA7
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Crystal Structure of the Human Fyn SH3 domain in complex with a peptide from the Hepatitis C virus NS5A-protein
分子名称: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
著者Martin-Garcia, J.M, Ruiz-Sanz, J, Luque, I, Camara-Artigas, A.
登録日2011-10-21
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The promiscuous binding of the Fyn SH3 domain to a peptide from the NS5A protein.
Acta Crystallogr.,Sect.D, 68, 2012
2HAI
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BU of 2hai by Molmil
Crystal structure of HCV NS5B RNA polymerase in complex with novel class of dihydropyrone-containing inhibitor.
分子名称: (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE, HEPATITIS C VIRUS NS5B RNA POLYMERASE
著者Li, H, Love, R.L.
登録日2006-06-12
公開日2006-09-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2GIQ
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Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-2 inhibitor
分子名称: 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
著者Harris, S.F.
登録日2006-03-29
公開日2007-04-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
3HHK
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HCV NS5b polymerase complex with a substituted benzothiadizine
分子名称: 2-({(3R)-3-[(3S)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide, HCV NS5 polymerase
著者Concha, N.O, Singh, O.
登録日2009-05-15
公開日2009-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
1GX5
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Hepatitis C Virus RNA Polymerase in Complex with GTP and Manganese
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Bressanelli, S, Rey, F.A.
登録日2002-03-27
公開日2002-04-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Structural Analysis of the Hepatitis C Virus RNA Polymerase in Complex with Ribonucleotides
J.Virol., 76, 2002
3CJ2
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BU of 3cj2 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
分子名称: 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline, NICKEL (II) ION, RNA-directed RNA polymerase
著者Kissinger, c.
登録日2008-03-12
公開日2008-04-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4EO6
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HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres
分子名称: 5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid, RNA-directed RNA polymerase
著者Appleby, T.C, Canales, E, Watkins, W.J.
登録日2012-04-13
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4DGY
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Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody HCV1, C2 form
分子名称: CHLORIDE ION, E2 peptide, GLYCEROL, ...
著者Kong, L, Wilson, I.A, Law, M.
登録日2012-01-27
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Structural basis of hepatitis C virus neutralization by broadly neutralizing antibody HCV1.
Proc.Natl.Acad.Sci.USA, 109, 2012
4EO8
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HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres
分子名称: 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
著者Appleby, T.C, Canales, E, Watkins, W.J.
登録日2012-04-13
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2D3Z
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X-ray crystal structure of hepatitis C virus RNA-dependent RNA polymerase in complex with non-nucleoside analogue inhibitor
分子名称: 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID, polyprotein
著者Biswal, B.K, Wang, M, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Bedard, J, James, M.N.G.
登録日2005-10-04
公開日2006-08-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Non-nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal a Novel Mechanism of Inhibition
J.Mol.Biol., 361, 2006
4DGV
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BU of 4dgv by Molmil
Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody HCV1, P2(1) form
分子名称: E2 peptide, HCV1 Heavy Chain, HCV1 Light Chain, ...
著者Kong, L, Wilson, I.A, Law, M.
登録日2012-01-26
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.805 Å)
主引用文献Structural basis of hepatitis C virus neutralization by broadly neutralizing antibody HCV1.
Proc.Natl.Acad.Sci.USA, 109, 2012
4KB7
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HCV NS5B GT1B N316Y with CMPD 32
分子名称: 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
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-04-23
公開日2013-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
1GX6
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BU of 1gx6 by Molmil
Hepatitis C Virus RNA polymerase in complex with UTP and manganese
分子名称: MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE, URIDINE 5'-TRIPHOSPHATE
著者Bressanelli, S, Rey, F.A.
登録日2002-03-27
公開日2002-04-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Structural Analysis of the Hepatitis C Virus RNA Polymerase in Complex with Ribonucleotides
J.Virol., 76, 2002
3FRZ
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BU of 3frz by Molmil
Crystal Structure of HCV NS5B RNA polymerase in complex with PF868554
分子名称: (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, ...
著者Parge, H.E.
登録日2009-01-08
公開日2009-03-10
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献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
3CJ3
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BU of 3cj3 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
分子名称: 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline, NICKEL (II) ION, RNA-directed RNA polymerase
著者Kissinger, c.
登録日2008-03-12
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CIZ
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BU of 3ciz by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with small molecule fragments
分子名称: 2-amino-5-bromobenzoic acid, RNA-directed RNA polymerase, ZINC ION
著者Hendle, j.
登録日2008-03-12
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3H2L
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BU of 3h2l by Molmil
Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor
分子名称: 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
著者Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R.
登録日2009-04-14
公開日2009-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
3E51
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BU of 3e51 by Molmil
Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor
分子名称: 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
著者Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
登録日2008-08-12
公開日2009-08-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
3VQS
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Crystal structure of HCV NS5B RNA polymerase with a novel piperazine inhibitor
分子名称: (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
著者Adachi, T, Doi, S, Ando, I, Sugimoto, K, Orita, T, Nomura, A, Kamada, M.
登録日2012-03-30
公開日2012-08-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Preclinical Characterization of JTK-853, a Novel Nonnucleoside Inhibitor of the Hepatitis C Virus RNA-Dependent RNA Polymerase.
Antimicrob.Agents Chemother., 56, 2012
3CJ0
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Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with small molecule fragments
分子名称: 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid, RNA-directed RNA polymerase
著者Kissinger, c.
登録日2008-03-12
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4IH5
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Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
分子名称: 4-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidine, RNA-directed RNA polymerase
著者Harris, S.F, Ghate, M.
登録日2012-12-18
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
4MKB
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BU of 4mkb by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 14 (N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide)
分子名称: N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
著者Harris, S.F, Wong, A.
登録日2013-09-04
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
1C2P
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HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE
分子名称: RNA-DEPENDENT RNA POLYMERASE
著者Lesburg, C.A, Cable, M.B, Ferrari, E, Hong, Z, Mannarino, A.F, Weber, P.C.
登録日1999-07-26
公開日2000-04-05
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the RNA-dependent RNA polymerase from hepatitis C virus reveals a fully encircled active site.
Nat.Struct.Biol., 6, 1999
2GIR
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BU of 2gir by Molmil
Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-1 inhibitor
分子名称: 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA-directed RNA polymerase
著者Harris, S.F.
登録日2006-03-29
公開日2007-04-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
3H98
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Crystal structure of HCV NS5b 1b with (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyrimidine derivative
分子名称: 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
著者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.
登録日2009-04-30
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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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