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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4MQ3
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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
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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
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4O5B
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4O55
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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
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5OI8
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5OIA
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5OI2
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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
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5OI5
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5OI3
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4PA1
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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: | 2024-06-05 | | 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
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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: | 2024-06-05 | | 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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1VSM
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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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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: | 2024-06-05 | | 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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1VSK
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1VSE
 | | ASV INTEGRASE CORE DOMAIN WITH MG(II) COFACTOR AND HEPES LIGAND, LOW MG CONCENTRATION FORM | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE | | 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 (2.2 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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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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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: | 2024-06-05 | | 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
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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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