1QS4
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![BU of 1qs4 by Molmil](/molmil-images/mine/1qs4) | Core domain of HIV-1 integrase complexed with Mg++ and 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone | Descriptor: | 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE, MAGNESIUM ION, PROTEIN (HIV-1 INTEGRASE (E.C.2.7.7.49)) | Authors: | Goldgur, Y, Craigie, R, Fujiwara, T, Yoshinaga, T, Davies, D.R. | Deposit date: | 1999-06-25 | Release date: | 1999-11-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: a platform for antiviral drug design. Proc.Natl.Acad.Sci.USA, 96, 1999
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5JL4
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7D83
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![BU of 7d83 by Molmil](/molmil-images/mine/7d83) | Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid | Descriptor: | (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION | Authors: | Sugiyama, S, Sekiguchi, Y. | Deposit date: | 2020-10-07 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond. Bioorg.Med.Chem.Lett., 33, 2020
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4TSX
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3DLR
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![BU of 3dlr by Molmil](/molmil-images/mine/3dlr) | |
7RQ0
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![BU of 7rq0 by Molmil](/molmil-images/mine/7rq0) | |
2ITG
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![BU of 2itg by Molmil](/molmil-images/mine/2itg) | CATALYTIC DOMAIN OF HIV-1 INTEGRASE: ORDERED ACTIVE SITE IN THE F185H CONSTRUCT | Descriptor: | HUMAN IMMUNODEFICIENCY VIRUS-1 INTEGRASE | Authors: | Bujacz, G, Alexandratos, J, Wlodawer, A, Zhou-Liu, Q, Clement-Mella, C. | Deposit date: | 1996-09-13 | Release date: | 1997-03-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The catalytic domain of human immunodeficiency virus integrase: ordered active site in the F185H mutant. FEBS Lett., 398, 1996
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5T3A
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6VLM
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![BU of 6vlm by Molmil](/molmil-images/mine/6vlm) | |
6NCJ
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![BU of 6ncj by Molmil](/molmil-images/mine/6ncj) | Structure of HIV-1 Integrase with potent 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives Allosteric Site Inhibitors | Descriptor: | (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase, ... | Authors: | Nolte, R.T. | Deposit date: | 2018-12-11 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives as Potent HIV-1-Integrase-Allosteric-Site Inhibitors. J. Med. Chem., 62, 2019
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6NUJ
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7KE0
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2X78
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![BU of 2x78 by Molmil](/molmil-images/mine/2x78) | Human foamy virus integrase - catalytic core. | Descriptor: | INTEGRASE | Authors: | Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Legrand, P, Silhan, J, Lewit-Bentley, A. | Deposit date: | 2010-02-24 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase Acta Crystallogr.,Sect.F, 66, 2010
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2X74
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![BU of 2x74 by Molmil](/molmil-images/mine/2x74) | Human foamy virus integrase - catalytic core. | Descriptor: | INTEGRASE | Authors: | Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Legrand, P, Silhan, J, Lewit-Bentley, A. | Deposit date: | 2010-02-23 | Release date: | 2010-08-11 | Last modified: | 2012-04-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase Acta Crystallogr.,Sect.F, 66, 2010
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7SIA
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6EB1
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![BU of 6eb1 by Molmil](/molmil-images/mine/6eb1) | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid | Descriptor: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid, Integrase | Authors: | Lindenberger, J.J, Kobe, M, Kvaratskhelia, M. | Deposit date: | 2018-08-03 | Release date: | 2019-03-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors. ACS Med Chem Lett, 10, 2019
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6EB2
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![BU of 6eb2 by Molmil](/molmil-images/mine/6eb2) | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid | Descriptor: | (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid, Integrase | Authors: | Lindenberger, J.J, Kobe, M, Kvaratskhelia, M. | Deposit date: | 2018-08-03 | Release date: | 2019-03-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors. ACS Med Chem Lett, 10, 2019
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6EX9
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1HYV
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![BU of 1hyv by Molmil](/molmil-images/mine/1hyv) | HIV INTEGRASE CORE DOMAIN COMPLEXED WITH TETRAPHENYL ARSONIUM | Descriptor: | CHLORIDE ION, INTEGRASE, SULFATE ION, ... | Authors: | Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S. | Deposit date: | 2001-01-22 | Release date: | 2001-04-04 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain. Acta Crystallogr.,Sect.D, 57, 2001
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1HYZ
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![BU of 1hyz by Molmil](/molmil-images/mine/1hyz) | HIV INTEGRASE CORE DOMAIN COMPLEXED WITH A DERIVATIVE OF TETRAPHENYL ARSONIUM. | Descriptor: | (3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM, CHLORIDE ION, INTEGRASE, ... | Authors: | Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S. | Deposit date: | 2001-01-22 | Release date: | 2001-04-04 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain. Acta Crystallogr.,Sect.D, 57, 2001
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5KGW
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![BU of 5kgw by Molmil](/molmil-images/mine/5kgw) | HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | Descriptor: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | Authors: | Feng, L, Kobe, M, Kvaratskhelia, M. | Deposit date: | 2016-06-13 | Release date: | 2016-10-19 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Indole-based allosteric inhibitors of HIV-1 integrase. Bioorg.Med.Chem.Lett., 26, 2016
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5KGX
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![BU of 5kgx by Molmil](/molmil-images/mine/5kgx) | HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | Descriptor: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | Authors: | Feng, L, Kobe, M, Kvaratskhelia, M. | Deposit date: | 2016-06-13 | Release date: | 2016-10-19 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Indole-based allosteric inhibitors of HIV-1 integrase. Bioorg.Med.Chem.Lett., 26, 2016
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1ITG
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![BU of 1itg by Molmil](/molmil-images/mine/1itg) | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HIV-1 INTEGRASE: SIMILARITY TO OTHER POLYNUCLEOTIDYL TRANSFERASES | Descriptor: | CACODYLATE ION, HIV-1 INTEGRASE | Authors: | Dyda, F, Hickman, A.B, Jenkins, T.M, Engelman, A, Craigie, R, Davies, D.R. | Deposit date: | 1994-11-21 | Release date: | 1995-05-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the catalytic domain of HIV-1 integrase: similarity to other polynucleotidyl transferases. Science, 266, 1994
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5KRS
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![BU of 5krs by Molmil](/molmil-images/mine/5krs) | HIV-1 Integrase Catalytic Core Domain in Complex with an Allosteric Inhibitor, 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid | Descriptor: | 3-pyrrol-1-ylthiophene-2-carboxylic acid, DIMETHYL SULFOXIDE, Integrase | Authors: | Patel, D, Bauman, J.D, Arnold, E. | Deposit date: | 2016-07-07 | Release date: | 2016-09-28 | Last modified: | 2022-03-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain. J.Biol.Chem., 291, 2016
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5CZ1
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