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4GW6	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor Descriptor: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein Authors: Feng, L, Kvaratskhelia, M. Deposit date: 2012-08-31 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.65 Å) Cite: The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors. J.Biol.Chem., 288, 2013
4GVM	HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor Descriptor: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein Authors: Feng, L, Kvaratskhelia, M. Deposit date: 2012-08-30 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.16 Å) Cite: The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors. J.Biol.Chem., 288, 2013
4MQ3	The 1.1 Angstrom Structure of Catalytic Core Domain of FIV Integrase Descriptor: Integrase Authors: Galilee, M, Alian, A. Deposit date: 2013-09-15 Release date: 2014-09-17 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.08 Å) Cite: Identification of phe187 as a crucial dimerization determinant facilitates crystallization of a monomeric retroviral integrase core domain. Structure, 22, 2014
4O0J	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid Descriptor: (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION Authors: Feng, L, Kvaratskhelia, M. Deposit date: 2013-12-13 Release date: 2014-07-02 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (2.05 Å) Cite: A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase. Plos Pathog., 10, 2014
5OI8	Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1 Descriptor: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, MAGNESIUM ION, Pol protein, ... Authors: Ruff, M, Benarous, R. Deposit date: 2017-07-18 Release date: 2018-03-07 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration. J. Biol. Chem., 293, 2018
4NYF	HIV integrase in complex with inhibitor Descriptor: (2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid, CADMIUM ION, Integrase Authors: Coulombe, R, Fader, L. Deposit date: 2013-12-10 Release date: 2014-06-25 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1. ACS Med Chem Lett, 5, 2014
4ID1	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor Descriptor: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Gag-Pol polyprotein, SULFATE ION Authors: Feng, L, Kvaratskhelia, M. Deposit date: 2012-12-11 Release date: 2013-05-01 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Allosteric integrase inhibitor potency is determined through the inhibition of HIV-1 particle maturation. Proc.Natl.Acad.Sci.USA, 110, 2013
4O5B	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid Descriptor: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION Authors: Feng, L, Kvaratskhelia, M. Deposit date: 2013-12-19 Release date: 2014-07-02 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (2.37 Å) Cite: A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase. Plos Pathog., 10, 2014
5OI5	Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1 Descriptor: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION Authors: Ruff, M, Benarous, R. Deposit date: 2017-07-18 Release date: 2018-03-07 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration. J. Biol. Chem., 293, 2018
5OI3	Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1 Descriptor: Integrase, MAGNESIUM ION Authors: Ruff, M, Benarous, R. Deposit date: 2017-07-18 Release date: 2018-03-07 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration. J. Biol. Chem., 293, 2018
5OIA	Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1 Descriptor: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, MAGNESIUM ION, Pol protein, ... Authors: Ruff, M, Benarous, R. Deposit date: 2017-07-18 Release date: 2018-03-07 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration. J. Biol. Chem., 293, 2018
4O55	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid Descriptor: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION Authors: Feng, L, Kvaratskhelia, M. Deposit date: 2013-12-19 Release date: 2014-07-02 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (2.24 Å) Cite: A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase. Plos Pathog., 10, 2014
5OI2	Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1 Descriptor: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION, ... Authors: Ruff, M, Benarous, R. Deposit date: 2017-07-18 Release date: 2018-03-07 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration. J. Biol. Chem., 293, 2018
4OVL	Interrogating HIV integrase for compounds that bind- a SAMPL challenge Descriptor: 1,2-ETHANEDIOL, 3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid, ACETIC ACID, ... Authors: Peat, T.S. Deposit date: 2013-11-21 Release date: 2014-03-05 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Interrogating HIV integrase for compounds that bind--a SAMPL challenge. J. Comput. Aided Mol. Des., 28, 2014
4OJR	Crystal Structure of the HIV-1 Integrase catalytic domain with GSK1264 Descriptor: (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, CACODYLATE ION, HIV-1 Integrase, ... Authors: Gupta, K, Brady, T, Dyer, B, Hwang, Y, Male, F, Nolte, R.T, Wang, L, Velthuisen, E, Jeffrey, J, Van Duyne, G, Bushman, F.D. Deposit date: 2014-01-21 Release date: 2014-06-11 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Allosteric Inhibition of Human Immunodeficiency Virus Integrase: LATE BLOCK DURING VIRAL REPLICATION AND ABNORMAL MULTIMERIZATION INVOLVING SPECIFIC PROTEIN DOMAINS. J.Biol.Chem., 289, 2014
4PA1	Crystal Structure of Catalytic Core domain of FIV Integrase Descriptor: Integrase Authors: Galilee, M, Alian, A. Deposit date: 2014-04-07 Release date: 2014-09-17 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Identification of phe187 as a crucial dimerization determinant facilitates crystallization of a monomeric retroviral integrase core domain. Structure, 22, 2014
4JLH	HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor Descriptor: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, HIV-1 Integrase catalytic core domain, SULFATE ION Authors: Feng, L, Kvaratskhelia, M. Deposit date: 2013-03-12 Release date: 2013-05-01 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (2.09 Å) Cite: The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors. J.Biol.Chem., 288, 2013
4LH5	Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration Descriptor: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, MAGNESIUM ION Authors: Ruff, M, Levy, N, Eiler, S. Deposit date: 2013-06-30 Release date: 2013-12-25 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage. Retrovirology, 10, 2013
4LH4	Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration Descriptor: Integrase, MAGNESIUM ION Authors: Ruff, M, Levy, N, Eiler, S. Deposit date: 2013-06-30 Release date: 2013-12-25 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage. Retrovirology, 10, 2013
1VSD	ASV INTEGRASE CORE DOMAIN WITH MG(II) COFACTOR AND HEPES LIGAND, HIGH MG CONCENTRATION FORM Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE, MAGNESIUM ION Authors: Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. Deposit date: 1995-11-29 Release date: 1996-04-03 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: The catalytic domain of avian sarcoma virus integrase: conformation of the active-site residues in the presence of divalent cations. Structure, 4, 1996
1VSH	ASV INTEGRASE CORE DOMAIN WITH ZN(II) COFACTORS Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE, ZINC ION Authors: Bujacz, G, Alexandratos, J, Wlodawer, A. Deposit date: 1997-03-04 Release date: 1997-05-15 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Binding of different divalent cations to the active site of avian sarcoma virus integrase and their effects on enzymatic activity. J.Biol.Chem., 272, 1997
1VSL	ASV INTEGRASE CORE DOMAIN D64N MUTATION WITH ZINC CATION Descriptor: PROTEIN (INTEGRASE), ZINC ION Authors: Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A. Deposit date: 1998-09-18 Release date: 1998-09-23 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural basis for inactivating mutations and pH-dependent activity of avian sarcoma virus integrase. J.Biol.Chem., 273, 1998
1VSJ	ASV INTEGRASE CORE DOMAIN WITH CD(II) COFACTORS Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, INTEGRASE Authors: Bujacz, G, Alexandratos, J, Wlodawer, A. Deposit date: 1997-03-04 Release date: 1997-05-15 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Binding of different divalent cations to the active site of avian sarcoma virus integrase and their effects on enzymatic activity. J.Biol.Chem., 272, 1997
1VSI	ASV INTEGRASE CORE DOMAIN WITH CA(II) COFACTOR Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, INTEGRASE Authors: Bujacz, G, Alexandratos, J, Wlodawer, A. Deposit date: 1997-03-04 Release date: 1997-05-15 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Binding of different divalent cations to the active site of avian sarcoma virus integrase and their effects on enzymatic activity. J.Biol.Chem., 272, 1997
1VSM	ASV INTEGRASE CORE DOMAIN IN CITRATE BUFFER PH 5.0 Descriptor: PROTEIN (INTEGRASE) Authors: Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A. Deposit date: 1998-09-18 Release date: 1998-09-23 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural basis for inactivating mutations and pH-dependent activity of avian sarcoma virus integrase. J.Biol.Chem., 273, 1998

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