Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

1VSD
DownloadVisualize
BU of 1vsd by Molmil
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:2011-07-13
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
7LQP
DownloadVisualize
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
6NUJ
DownloadVisualize
BU of 6nuj by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor BI-224436
Descriptor: (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, Integrase
Authors:Lindenberger, J.J, Kvaratskhelia, M.
Deposit date:2019-02-01
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.100027 Å)
Cite:HIV-1 integrase tetramers are the antiviral target of pyridine-based allosteric integrase inhibitors.
Elife, 8, 2019
5CZ1
DownloadVisualize
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
1QS4
DownloadVisualize
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
4TSX
DownloadVisualize
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
7D83
DownloadVisualize
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
DownloadVisualize
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
2ITG
DownloadVisualize
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
6WC8
DownloadVisualize
BU of 6wc8 by Molmil
HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid
Descriptor: IODIDE ION, Integrase, SULFATE ION, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-03-29
Release date:2021-03-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:HIV Integrase core domain in complex with inhibitor
To Be Published
6WE7
DownloadVisualize
BU of 6we7 by Molmil
HIV Integrase core domain in complex with inhibitor 3-methyl-2-{5-methyl-2-[2-(thiophen-2-yl)ethynyl]-1- benzofuran-3-yl}butanoic acid
Descriptor: (2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-04-01
Release date:2021-04-07
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:HIV Integrase core domain in complex with inhibitor
To Be Published
8D3S
DownloadVisualize
BU of 8d3s by Molmil
HIV-1 Integrase Catalytic Core Domain F185H Mutant Complexed with BKC-110
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-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:2022-06-01
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:HIV-1 Integrase Catalytic Core Domain Complexed with BKC-110
To Be Published
3DLR
DownloadVisualize
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
7U2U
DownloadVisualize
BU of 7u2u by Molmil
CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH Compound-2a AKA (2S)-2-(TERT-BUTOXY)-2-[7-(4,4-DIMETHYLPIPE RIDIN-1-YL)-8-{4-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}-2,5-DIM ETHYLIMIDAZO[1,2-A]PYRIDIN-6-YL]ACETIC ACID
Descriptor: (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid, Integrase, SULFATE ION
Authors:Khan, J.A, lewis, H, Kish, K.
Deposit date:2022-02-24
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:Scaffold modifications to the 4-(4,4-dimethylpiperidinyl) 2,6-dimethylpyridinyl class of HIV-1 allosteric integrase inhibitors.
Bioorg.Med.Chem., 67, 2022
4Y1C
DownloadVisualize
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
DownloadVisualize
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
6JCG
DownloadVisualize
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
DownloadVisualize
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
2X78
DownloadVisualize
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
DownloadVisualize
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
6EX9
DownloadVisualize
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
6EB1
DownloadVisualize
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
5T3A
DownloadVisualize
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
6EB2
DownloadVisualize
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
8WF7
DownloadVisualize
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

219515

数据于2024-05-08公开中

PDB statisticsPDBj update infoContact PDBjnumon