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PDB: 367 results

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
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
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
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
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
6JCG
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BU of 6jcg by Molmil
Room temperature structure of HIV-1 Integrase catalytic core domain by serial femtosecond crystallography.
Descriptor: CACODYLATE ION, Integrase
Authors:Park, J.H, Shi, Y, Han, J, Li, X, Kim, T.H, Yun, J.H.
Deposit date:2019-01-28
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers.
Int J Mol Sci, 20, 2019
6JCF
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BU of 6jcf by Molmil
Cryogenic structure of HIV-1 Integrase catalytic core domain by synchrotron
Descriptor: CACODYLATE ION, Integrase
Authors:Park, J.H, Han, J, Kim, T.H, Yun, J.H, Lee, W.
Deposit date:2019-01-28
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers.
Int J Mol Sci, 20, 2019
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
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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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
7KE0
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BU of 7ke0 by Molmil
HIV-1 Integrase catalytic core domain complexed with allosteric inhibitor 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:Lindenberger, J.J, Kvaratskhelia, M.
Deposit date:2020-10-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:A highly potent and safe pyrrolopyridine-based allosteric HIV-1 integrase inhibitor targeting host LEDGF/p75-integrase interaction site.
Plos Pathog., 17, 2021
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
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
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
3DLR
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BU of 3dlr by Molmil
Crystal structure of the catalytic core domain from PFV integrase
Descriptor: Integrase, MAGNESIUM ION
Authors:Valkov, E, Cherepanov, P.
Deposit date:2008-06-29
Release date:2008-12-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Functional and structural characterization of the integrase from the prototype foamy virus.
Nucleic Acids Res., 37, 2009
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
5CZ1
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BU of 5cz1 by Molmil
Crystal structure of the catalytic core domain of MMTV integrase
Descriptor: integrase
Authors:Cook, N, Ballandras-Colas, A, Engelman, A, Cherepanov, P.
Deposit date:2015-07-31
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
1EXQ
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BU of 1exq by Molmil
CRYSTAL STRUCTURE OF THE HIV-1 INTEGRASE CATALYTIC CORE DOMAIN
Descriptor: CADMIUM ION, CHLORIDE ION, POL POLYPROTEIN, ...
Authors:Chen, J.C.-H, Krucinski, J, Miercke, L.J.W, Finer-Moore, J.S, Tang, A.H, Leavitt, A.D, Stroud, R.M.
Deposit date:2000-05-03
Release date:2000-11-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the HIV-1 integrase catalytic core and C-terminal domains: a model for viral DNA binding.
Proc.Natl.Acad.Sci.USA, 97, 2000
6L0C
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BU of 6l0c by Molmil
Crystal structure of HIV-1 Integrase catalytic core domain (A128T/K173Q/F185K)
Descriptor: ARSENIC, Integrase, SULFATE ION
Authors:Nakamura, T, Nakamura, T.
Deposit date:2019-09-26
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:A Conformational Escape Reaction of HIV-1 against an Allosteric Integrase Inhibitor.
J.Virol., 94, 2020
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
5OI5
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BU of 5oi5 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, 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
5OI2
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BU of 5oi2 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, 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
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

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