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2M3Z
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BU of 2m3z by Molmil
NMR solution structure of HIV-1 nucleocapsid protein in complex with an inhibitor displaying a 2 inhibitors:1 NC stoichiometry
分子名称: (3E)-3-{(2Z)-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene}-2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid, NUCLEOCAPSID PROTEIN P7, ZINC ION
著者Goudreau, N, Hucke, O.
登録日2013-01-28
公開日2013-02-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Discovery and Structural Characterization of a New Inhibitor Series of HIV-1 Nucleocapsid Function: NMR Solution Structure Determination of a Ternary Complex Involving a 2:1 Inhibitor/NC Stoichiometry.
J.Mol.Biol., 425, 2013
1AZE
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BU of 1aze by Molmil
NMR STRUCTURE OF THE COMPLEX BETWEEN THE C32S-Y7V MUTANT OF THE NSH3 DOMAIN OF GRB2 WITH A PEPTIDE FROM SOS, 10 STRUCTURES
分子名称: GRB2, SOS
著者Vidal, M, Gincel, E, Goudreau, N, Cornille, F, Parker, F, Duchesne, M, Tocque, B, Garbay, C, Roques, B.P.
登録日1997-11-17
公開日1999-05-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Molecular and cellular analysis of Grb2 SH3 domain mutants: interaction with Sos and dynamin.
J.Mol.Biol., 290, 1999
4INB
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BU of 4inb by Molmil
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With benzodiazepine Inhibitor
分子名称: (3Z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, Gag protein, SODIUM ION
著者Coulombe, R.
登録日2013-01-04
公開日2013-02-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Monitoring Binding of HIV-1 Capsid Assembly Inhibitors Using (19) F Ligand-and (15) N Protein-Based NMR and X-ray Crystallography: Early Hit Validation of a Benzodiazepine Series.
Chemmedchem, 8, 2013
4E91
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BU of 4e91 by Molmil
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BD3
分子名称: (3S)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein, ...
著者Lemke, C.T.
登録日2012-03-20
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Distinct Effects of Two HIV-1 Capsid Assembly Inhibitor Families That Bind the Same Site within the N-Terminal Domain of the Viral CA Protein.
J.Virol., 86, 2012
4E92
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BU of 4e92 by Molmil
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BM4
分子名称: 3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1H-benzimidazol-2-yl}-4-hydroxybenzoic acid, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein
著者Lemke, C.T.
登録日2012-03-20
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Distinct Effects of Two HIV-1 Capsid Assembly Inhibitor Families That Bind the Same Site within the N-Terminal Domain of the Viral CA Protein.
J.Virol., 86, 2012
4J93
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BU of 4j93 by Molmil
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BI-1
分子名称: (4S)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein
著者Lemke, C.T.
登録日2013-02-15
公開日2013-07-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Discovery of Novel Small-Molecule HIV-1 Replication Inhibitors That Stabilize Capsid Complexes.
Antimicrob.Agents Chemother., 57, 2013
3P8N
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BU of 3p8n by Molmil
Crystal structure of HCV NS3/NS4A protease complexed with BI 201335
分子名称: HCV non-structural protein 4A, HCV serine protease NS3, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-L-prolinamide, ...
著者Lemke, C.T.
登録日2010-10-14
公開日2011-01-26
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335.
J.Biol.Chem., 286, 2011
3P8O
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BU of 3p8o by Molmil
Crystal structure of HCV NS3/NS4A protease complexed with des-bromine analogue of BI 201335
分子名称: HCV non-structural protein 4A, HCV serine protease NS3, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide, ...
著者Lemke, C.T.
登録日2010-10-14
公開日2011-01-26
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335.
J.Biol.Chem., 286, 2011

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件を2024-07-24に公開中

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