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2M3Z
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NMR SOLUTION STRUCTURE OF HIV-1 NUCLEOCAPSID PROTEIN IN COMPLEX WITH AN INHIBITOR DISPLAYING A 2 INHIBITORS:1 NC STOICHIOMETRY
Descriptor:NUCLEOCAPSID PROTEIN P7, ZINC ION, (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
Authors:Goudreau, N., Hucke, O.
Deposit date:2013-01-28
Release date:2013-02-27
Last modified:2013-05-29
Method:SOLUTION NMR
Cite: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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NMR STRUCTURE OF THE COMPLEX BETWEEN THE C32S-Y7V MUTANT OF THE NSH3 DOMAIN OF GRB2 WITH A PEPTIDE FROM SOS, 10 STRUCTURES
Descriptor:GRB2, SOS
Authors:Vidal, M., Gincel, E., Goudreau, N., Cornille, F., Parker, F., Duchesne, M., Tocque, B., Garbay, C., Roques, B.P.
Deposit date:1997-11-17
Release date:1999-05-18
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Molecular and cellular analysis of Grb2 SH3 domain mutants: interaction with Sos and dynamin.
J.Mol.Biol., 290, 1999
4INB
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CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HIV-1 CAPSID IN COMPLEX WITH BENZODIAZEPINE INHIBITOR
Descriptor:Gag protein, (3Z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, SODIUM ION
Authors:Coulombe, R.
Deposit date:2013-01-04
Release date:2013-02-27
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HIV-1 CAPSID IN COMPLEX WITH INHIBITOR BD3
Descriptor:Gag protein, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, (3S)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, ...
Authors:Lemke, C.T.
Deposit date:2012-03-20
Release date:2012-04-25
Last modified:2013-06-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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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CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HIV-1 CAPSID IN COMPLEX WITH INHIBITOR BM4
Descriptor:Gag protein, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, 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
Authors:Lemke, C.T.
Deposit date:2012-03-20
Release date:2012-04-25
Last modified:2013-06-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
3P8N
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CRYSTAL STRUCTURE OF HCV NS3/NS4A PROTEASE COMPLEXED WITH BI 201335
Descriptor:HCV serine protease NS3, HCV non-structural protein 4A, SODIUM ION, ...
Authors:Lemke, C.T.
Deposit date:2010-10-14
Release date:2011-01-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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CRYSTAL STRUCTURE OF HCV NS3/NS4A PROTEASE COMPLEXED WITH DES-BROMINE ANALOGUE OF BI 201335
Descriptor:HCV serine protease NS3, HCV non-structural protein 4A, SODIUM ION, ...
Authors:Lemke, C.T.
Deposit date:2010-10-14
Release date:2011-01-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
4J93
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CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HIV-1 CAPSID IN COMPLEX WITH INHIBITOR BI-1
Descriptor:Gag protein, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, (4S)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Authors:Lemke, C.T.
Deposit date:2013-02-15
Release date:2013-07-10
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of Novel Small-Molecule HIV-1 Replication Inhibitors That Stabilize Capsid Complexes.
Antimicrob.Agents Chemother., 57, 2013