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1NS3
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BU of 1ns3 by Molmil
STRUCTURE OF HCV PROTEASE (BK STRAIN)
Descriptor: NS3 PROTEASE, NS4A PEPTIDE, ZINC ION
Authors:Yan, Y, Munshi, S, Chen, Z.
Deposit date:1997-04-05
Release date:1998-04-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 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
2BRL
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BU of 2brl by Molmil
Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 2)
Descriptor: 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S, Volpari, C, Carfi, A.
Deposit date:2005-05-06
Release date:2005-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005
2BRK
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BU of 2brk by Molmil
Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 1)
Descriptor: 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S, Volpari, C, Carfi, A.
Deposit date:2005-05-06
Release date:2005-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005
2A4R
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BU of 2a4r by Molmil
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
2A4Q
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BU of 2a4q by Molmil
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
1W3C
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BU of 1w3c by Molmil
Crystal structure of the Hepatitis C Virus NS3 Protease in complex with a peptidomimetic inhibitor
Descriptor: 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), ...
Authors:Di Marco, S, Volpari, C.
Deposit date:2004-07-14
Release date:2004-12-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Design and Enzyme-Bound Crystal Structure of Indoline Based Peptidomimetic Inhibitors of Hepatitis C Virus Ns3 Protease
J.Med.Chem., 47, 2004
1W22
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BU of 1w22 by Molmil
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
7S6K
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BU of 7s6k by Molmil
J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut2 S protein (conformation 2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, J08 fragment antigen binding heavy chain variable domain, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2021-09-14
Release date:2022-05-11
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S6L
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BU of 7s6l by Molmil
J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (conformation 3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, J08 fragment antigen binding heavy chain variable domain, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2021-09-14
Release date:2022-05-11
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S6I
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BU of 7s6i by Molmil
SARS-CoV-2-6P-Mut2 S protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2021-09-14
Release date:2022-05-11
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S6J
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BU of 7s6j by Molmil
J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut2 S protein (conformation 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, J08 fragment antigen binding heavy chain variable domain, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2021-09-14
Release date:2022-05-11
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SBU
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BU of 7sbu by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with a highly potent antibody J08 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, J08 Fab heavy chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2021-09-25
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
3GSZ
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BU of 3gsz by Molmil
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
2LFB
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BU of 2lfb by Molmil
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:2022-03-16
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
2WCX
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BU of 2wcx by Molmil
Crystal Structure of Hepatitis C Virus NS5B Polymerase in Complex with Thienopyrrole-Based Finger-Loop Inhibitors
Descriptor: 6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S.
Deposit date:2009-03-17
Release date:2009-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of Thienopyrrole-Based Finger-Loop Inhibitors of the Hepatitis C Virus Ns5B Polymerase.
Chemmedchem, 4, 2009
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