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1A1Q
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BU of 1a1q by Molmil
HEPATITIS C VIRUS NS3 PROTEINASE
Descriptor: NS3 PROTEINASE, ZINC ION
Authors:Love, R.A, Parge, H.E, Wickersham, J.A, Hostomsky, Z, Habuka, N, Moomaw, E.W, Adachi, T, Hostomska, Z.
Deposit date:1997-12-12
Release date:1998-03-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of hepatitis C virus NS3 proteinase reveals a trypsin-like fold and a structural zinc binding site.
Cell(Cambridge,Mass.), 87, 1996
1XR6
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BU of 1xr6 by Molmil
Crystal Structure of RNA-dependent RNA Polymerase 3D from human rhinovirus serotype 1B
Descriptor: Genome polyprotein, POTASSIUM ION
Authors:Love, R.A, Maegley, K.A, Yu, X, Ferre, R.A, Lingardo, L.K, Diehl, W, Parge, H.E, Dragovich, P.S, Fuhrman, S.A.
Deposit date:2004-10-13
Release date:2004-10-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Crystal Structure of the RNA-Dependent RNA Polymerase from Human Rhinovirus: A Dual-Function Target for Common Cold Antiviral Therapy
Structure, 12, 2004
1XR7
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Crystal structure of RNA-dependent RNA Polymerase 3D from human rhinovirus serotype 16
Descriptor: Genome polyprotein
Authors:Love, R.A, Maegley, K.A, Yu, X, Ferre, R.A, Lingardo, L.K, Diehl, W, Parge, H.E, Dragovich, P.S, Fuhrman, S.A.
Deposit date:2004-10-13
Release date:2004-10-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of the RNA-Dependent RNA Polymerase from Human Rhinovirus: A Dual-Function Target for Common Cold Antiviral Therapy
Structure, 12, 2004
1XR5
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Crystal Structure of the RNA-dependent RNA Polymerase 3D from human rhinovirus serotype 14
Descriptor: Genome polyprotein, SAMARIUM (III) ION
Authors:Love, R.A, Maegley, K.A, Yu, X, Ferre, R.A, Lingardo, L.K, Diehl, W, Parge, H.E, Dragovich, P.S, Fuhrman, S.A.
Deposit date:2004-10-13
Release date:2004-10-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Crystal Structure of the RNA-Dependent RNA Polymerase from Human Rhinovirus: A Dual-Function Target for Common Cold Antiviral Therapy
Structure, 12, 2004
1IND
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BU of 1ind by Molmil
HOW THE ANTI-(METAL CHELATE) ANTIBODY CHA255 IS SPECIFIC FOR THE METAL ION OF ITS ANTIGEN: X-RAY STRUCTURES FOR TWO FAB'(SLASH)HAPTEN COMPLEXES WITH DIFFERENT METALS IN THE CHELATE
Descriptor: IGG1-LAMBDA CHA255 FAB (HEAVY CHAIN), IGG1-LAMBDA CHA255 FAB (LIGHT CHAIN), INDIUM (III) ION, ...
Authors:Love, R.A, Butler, W.F.
Deposit date:1993-06-14
Release date:1993-10-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:How the anti-(metal chelate) antibody CHA255 is specific for the metal ion of its antigen: X-ray structures for two Fab'/hapten complexes with different metals in the chelate.
Biochemistry, 32, 1993
1INE
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BU of 1ine by Molmil
HOW THE ANTI-(METAL CHELATE) ANTIBODY CHA255 IS SPECIFIC FOR THE METAL ION OF ITS ANTIGEN: X-RAY STRUCTURES FOR TWO FAB'(SLASH)HAPTEN COMPLEXES WITH DIFFERENT METALS IN THE CHELATE
Descriptor: FE (III) ION, IGG1-LAMBDA CHA255 FAB (HEAVY CHAIN), IGG1-LAMBDA CHA255 FAB (LIGHT CHAIN), ...
Authors:Love, R.A, Butler, W.F.
Deposit date:1993-06-14
Release date:1993-10-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:How the anti-(metal chelate) antibody CHA255 is specific for the metal ion of its antigen: X-ray structures for two Fab'/hapten complexes with different metals in the chelate.
Biochemistry, 32, 1993
3FQQ
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Crystal structure of a novel dimeric form of HCV NS5A domain I protein
Descriptor: 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, GLYCEROL, Non-structural protein 5A, ...
Authors:Love, R.A.
Deposit date:2009-01-07
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a novel dimeric form of NS5A domain I protein from hepatitis C virus
J.Virol., 83, 2009
3FQM
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Crystal structure of a novel dimeric form of HCV NS5A domain I protein
Descriptor: GLYCEROL, Non-structural protein 5A, ZINC ION
Authors:Love, R.A.
Deposit date:2009-01-07
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a novel dimeric form of NS5A domain I protein from hepatitis C virus
J.Virol., 83, 2009
1OS5
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BU of 1os5 by Molmil
Crystal structure of HCV NS5B RNA polymerase complexed with a novel non-competitive inhibitor.
Descriptor: 3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE, Hepatitis C virus NS5B RNA polymerase
Authors:Love, R.A, Parge, H.E, Yu, X, Hickey, M.J, Diehl, W, Gao, J, Wriggers, H, Ekker, A, Wang, L, Thomson, J.A, Dragovich, P.S, Fuhrman, S.A.
Deposit date:2003-03-18
Release date:2004-03-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic identification of a noncompetitive inhibitor binding site on the hepatitis C virus NS5B RNA polymerase enzyme.
J.Virol., 77, 2003
2ABX
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BU of 2abx by Molmil
THE CRYSTAL STRUCTURE OF ALPHA-BUNGAROTOXIN AT 2.5 ANGSTROMS RESOLUTION. RELATION TO SOLUTION STRUCTURE AND BINDING TO ACETYLCHOLINE RECEPTOR
Descriptor: ALPHA-BUNGAROTOXIN
Authors:Love, R, Stroud, R.
Deposit date:1986-02-19
Release date:1986-05-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of alpha-bungarotoxin at 2.5 A resolution: relation to solution structure and binding to acetylcholine receptor.
Protein Eng., 1, 1986
1CQQ
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BU of 1cqq by Molmil
TYPE 2 RHINOVIRUS 3C PROTEASE WITH AG7088 INHIBITOR
Descriptor: 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, TYPE 2 RHINOVIRUS 3C PROTEASE
Authors:Matthews, D, Ferre, R.A.
Deposit date:1999-08-10
Release date:1999-09-20
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-assisted design of mechanism-based irreversible inhibitors of human rhinovirus 3C protease with potent antiviral activity against multiple rhinovirus serotypes.
Proc.Natl.Acad.Sci.USA, 96, 1999
1BT7
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BU of 1bt7 by Molmil
THE SOLUTION NMR STRUCTURE OF THE N-TERMINAL PROTEASE DOMAIN OF THE HEPATITIS C VIRUS (HCV) NS3-PROTEIN, FROM BK STRAIN, 20 STRUCTURES
Descriptor: NS3 SERINE PROTEASE, ZINC ION
Authors:Barbato, G, Cicero, D.O, Nardi, M.C, Steinkuhler, C, Cortese, R, De Francesco, R, Bazzo, R.
Deposit date:1998-09-01
Release date:1999-06-22
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:The solution structure of the N-terminal proteinase domain of the hepatitis C virus (HCV) NS3 protein provides new insights into its activation and catalytic mechanism.
J.Mol.Biol., 289, 1999
3IG1
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BU of 3ig1 by Molmil
HIV-1 Reverse Transcriptase with the Inhibitor beta-Thujaplicinol Bound at the RNase H Active Site
Descriptor: 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, HIV-1 Reverse Transcriptase p51 subunit, HIV-1 Reverse Transcriptase p66 subunit, ...
Authors:Himmel, D.M, Maegley, K.A, Pauly, T.A, Arnold, E.
Deposit date:2009-07-27
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site.
Structure, 17, 2009
3K2P
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BU of 3k2p by Molmil
HIV-1 Reverse Transcriptase Isolated RnaseH Domain with the Inhibitor beta-thujaplicinol Bound at the Active Site
Descriptor: 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, MANGANESE (II) ION, Reverse Transcriptase
Authors:Pauly, T.A, Himmel, D.M, Maegley, K, Arnold, E.
Deposit date:2009-09-30
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site.
Structure, 17, 2009
1ABT
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BU of 1abt by Molmil
NMR SOLUTION STRUCTURE OF AN ALPHA-BUNGAROTOXIN(SLASH)NICOTINIC RECEPTOR PEPTIDE COMPLEX
Descriptor: ALPHA-BUNGAROTOXIN, NICOTINIC RECEPTOR PEPTIDE
Authors:Basus, V.J, Song, G, Hawrot, E.
Deposit date:1993-11-17
Release date:1994-01-31
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:NMR solution structure of an alpha-bungarotoxin/nicotinic receptor peptide complex.
Biochemistry, 32, 1993
2A4G
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BU of 2a4g by Molmil
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
2A4R
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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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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
4H6J
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Identification of Cys 255 in HIF-1 as a novel site for development of covalent inhibitors of HIF-1 /ARNT PasB domain protein-protein interaction.
Descriptor: ARYL HYDROCARBON NUCLEAR TRANSLOCATOR, HYPOXIA INDUCIBLE FACTOR 1-ALPHA
Authors:Cardoso, R, Love, R.A, Nilsson, C, Bergqvist, S, Nowlin, D, Yan, J, Liu, K, Zhu, J, Chen, P, Deng, Y.-L, Dyson, H.J, Greig, M.J, Brooun, A.
Deposit date:2012-09-19
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Identification of Cys255 in HIF-1 alpha as a novel site for development of covalent inhibitors of HIF-1 alpha /ARNT PasB domain protein-protein interaction.
Protein Sci., 21, 2012
3QLH
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BU of 3qlh by Molmil
HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket
Descriptor: (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E.
Deposit date:2011-02-02
Release date:2011-12-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
1KC4
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NMR Structural Analysis of the Complex Formed Between alpha-Bungarotoxin and the Principal alpha-Neurotoxin Binding Sequence on the alpha7 Subunit of a Neuronal Nicotinic Acetylcholine Receptor
Descriptor: alpha-bungarotoxin, neuronal acetylcholine receptor protein, alpha-7 chain
Authors:Moise, L, Piserchio, A, Basus, V.J, Hawrot, E.
Deposit date:2001-11-07
Release date:2002-03-13
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:NMR structural analysis of alpha-bungarotoxin and its complex with the principal alpha-neurotoxin-binding sequence on the alpha 7 subunit of a neuronal nicotinic acetylcholine receptor.
J.Biol.Chem., 277, 2002
1KL8
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BU of 1kl8 by Molmil
NMR STRUCTURAL ANALYSIS OF THE COMPLEX FORMED BETWEEN ALPHA-BUNGAROTOXIN AND THE PRINCIPAL ALPHA-NEUROTOXIN BINDING SEQUENCE ON THE ALPHA7 SUBUNIT OF A NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR
Descriptor: ALPHA-BUNGAROTOXIN, NEURONAL ACETYLCHOLINE RECEPTOR PROTEIN, ALPHA-7 CHAIN
Authors:Moise, L, Piserchio, A, Basus, V.J, Hawrot, E.
Deposit date:2001-12-11
Release date:2002-03-13
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:NMR structural analysis of alpha-bungarotoxin and its complex with the principal alpha-neurotoxin-binding sequence on the alpha 7 subunit of a neuronal nicotinic acetylcholine receptor.
J.Biol.Chem., 277, 2002
4QAG
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Structure of a dihydroxycoumarin active-site inhibitor in complex with the RNASE H domain of HIV-1 reverse transcriptase
Descriptor: (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H
Authors:Himmel, D.M, Ho, W.C, Arnold, E.
Deposit date:2014-05-04
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.712 Å)
Cite:Structure of a Dihydroxycoumarin Active-Site Inhibitor in Complex with the RNase H Domain of HIV-1 Reverse Transcriptase and Structure-Activity Analysis of Inhibitor Analogs.
J.Mol.Biol., 426, 2014

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