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8WF7
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BU of 8wf7 by Molmil
The Crystal Structure of integrase from Biortus
Descriptor: ACETATE ION, Integrase, SULFATE ION
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-09-19
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Crystal Structure of integrase from Biortus
To Be Published
7D83
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BU of 7d83 by Molmil
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
8S9Q
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BU of 8s9q by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H Mutant Complexed with STP03-0404
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, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-03-29
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:HIV-1 Integrase Catalytic Core Domain Complexed with STP-0404
To Be Published
1QS4
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BU of 1qs4 by Molmil
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
2ITG
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BU of 2itg by Molmil
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:2023-08-09
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
4PA1
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BU of 4pa1 by Molmil
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
4TSX
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BU of 4tsx by Molmil
HIV-1 Integrase Catalytic Core Domain Mutant Complexed with Allosteric Inhibitor
Descriptor: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2014-06-19
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The mechanism of H171T resistance reveals the importance of N -protonated His171 for the binding of allosteric inhibitor BI-D to HIV-1 integrase.
Retrovirology, 11, 2014
6EB1
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BU of 6eb1 by Molmil
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
6EB2
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BU of 6eb2 by Molmil
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
6EX9
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BU of 6ex9 by Molmil
Crystal Structure of HIV-1 Integrase Catalytic Core Domain with Inhibitor Peptide
Descriptor: Inhibitor Peptide, Integrase
Authors:Galilee, M, Alian, A.
Deposit date:2017-11-07
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.014 Å)
Cite:Multimerization of HIV-1 integrase hinges on conserved SH3-docking platforms
Biorxiv, 2018
7RQ0
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BU of 7rq0 by Molmil
HIV Integrase CORE domain in complex with 2-{2-[2-(3-{[4-(2-{[(3-{2-[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid
Descriptor: IODIDE ION, Integrase, SULFATE ION, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2021-08-05
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:HIV integrase-LEDGF interaction screening by fragment linking using off-rate screening
To Be Published
5T3A
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BU of 5t3a by Molmil
Maedi-Visna virus (MVV) integrase CCD-CTD (residues 60-275)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, integrase
Authors:Cook, N.J, Pye, V.E, Cherepanov, P.
Deposit date:2016-08-25
Release date:2017-01-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:A supramolecular assembly mediates lentiviral DNA integration.
Science, 355, 2017
4Y1C
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BU of 4y1c by Molmil
Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain
Descriptor: CADMIUM ION, Cyclic hexapeptide cyc[NdPopPKID], Integrase, ...
Authors:Wielens, J, Chalmers, D.K.
Deposit date:2015-02-07
Release date:2015-02-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HEXAPEPTIDE MIMETICS OF LEDGF IN COMPLEX WITH HIV-1 INTEGRASE
To Be Published
4Y1D
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BU of 4y1d by Molmil
Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain
Descriptor: CADMIUM ION, CHLORIDE ION, Cyclic hexapeptide cyc[NdPopPKID], ...
Authors:Wielens, J, Chalmers, D.K.
Deposit date:2015-02-07
Release date:2015-05-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:HEXAPEPTIDE MIMETICS OF LEDGF IN COMPLEX WITH HIV-1 INTEGRASE
To Be Published
1HYV
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BU of 1hyv by Molmil
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
1HYZ
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BU of 1hyz by Molmil
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
2X74
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BU of 2x74 by Molmil
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
1ITG
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BU of 1itg by Molmil
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
2X6S
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BU of 2x6s by Molmil
Human foamy virus integrase - catalytic core. Magnesium-bound structure.
Descriptor: INTEGRASE, MAGNESIUM ION
Authors:Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Silhan, J, Lewit-Bentley, A.
Deposit date:2010-02-19
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
2X6N
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BU of 2x6n by Molmil
Human foamy virus integrase - catalytic core. Manganese-bound structure.
Descriptor: INTEGRASE, MANGANESE (II) ION
Authors:Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Silhan, J, Lewit-Bentley, A.
Deposit date:2010-02-18
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
2X78
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BU of 2x78 by Molmil
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
7LQP
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BU of 7lqp by Molmil
Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening
Descriptor: 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2021-02-15
Release date:2022-02-23
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening
To Be Published
5OI8
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BU of 5oi8 by Molmil
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
5OI3
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BU of 5oi3 by Molmil
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
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BU of 5oia by Molmil
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

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