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
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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
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1VSF
 | | ASV INTEGRASE CORE DOMAIN WITH MN(II) COFACTOR AND HEPES LIGAND, HIGH MG CONCENTRATION FORM | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE, MANGANESE (II) ION | | Authors: | Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1995-11-29 | | Release date: | 1996-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 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
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1VSM
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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
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1VSK
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8CT5
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8CT7
 | | Catalytic Core Domain of HIV-1 Integrase (F185K) bound with BI-224436 | | Descriptor: | (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase, ... | | Authors: | Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D. | | Deposit date: | 2022-05-13 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
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8CBT
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT872 | | Descriptor: | (2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | | Deposit date: | 2023-01-25 | | Release date: | 2023-06-07 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
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8CBV
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916 | | Descriptor: | (2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | | Deposit date: | 2023-01-25 | | Release date: | 2023-06-07 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
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8CBU
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884 | | Descriptor: | (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | | Deposit date: | 2023-01-25 | | Release date: | 2023-06-07 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
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8CBR
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BDM-2 | | Descriptor: | (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | | Deposit date: | 2023-01-25 | | Release date: | 2023-06-07 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
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8CBS
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT871 | | Descriptor: | (2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | | Deposit date: | 2023-01-25 | | Release date: | 2023-06-07 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
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8D3S
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6VKA
 | | HIV Integrase Core domain (IN) in complex with dimer-spanning ligand | | Descriptor: | 2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid, IODIDE ION, Integrase, ... | | Authors: | Gorman, M.A, Parker, M.W. | | Deposit date: | 2020-01-19 | | Release date: | 2021-01-20 | | Method: | X-RAY DIFFRACTION (1.863 Å) | | Cite: | HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor
To Be Published
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6VLH
 | | HIV Integrase Core domain (IN) in complex with dimer-spanning ligand | | Descriptor: | (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ... | | Authors: | Gorman, M.A, Parker, M.W. | | Deposit date: | 2020-01-24 | | Release date: | 2021-01-27 | | Method: | X-RAY DIFFRACTION (2.036 Å) | | Cite: | HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor
To Be Published
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6VLM
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6VQS
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6VX2
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6W0U
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6W42
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8A1P
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D | | Descriptor: | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | Deposit date: | 2022-06-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
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8A1Q
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir) | | Descriptor: | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, 1,2-ETHANEDIOL, Integrase, ... | | Authors: | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | Deposit date: | 2022-06-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
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6WC8
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6WE7
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