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6QBW
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BU of 6qbw by Molmil
Structure of the HTLV-2 integrase catalytic core domain in complex with calcium
Descriptor: CALCIUM ION, integrase
Authors:Barski, M.S, Maertens, G.N.
Deposit date:2018-12-21
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56 gamma.
Nat Commun, 11, 2020
3KKR
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BU of 3kkr by Molmil
Crystal structure of catalytic core domain of BIV integrase in crystal form I
Descriptor: Integrase, NITRATE ION
Authors:Shen, Y.
Deposit date:2009-11-06
Release date:2010-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:Crystal structures of catalytic core domain of BIV integrase: implications for the interaction between integrase and target DNA
Protein Cell, 1, 2010
3KKS
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BU of 3kks by Molmil
Crystal structure of catalytic core domain of BIV integrase in crystal form II
Descriptor: ACETATE ION, GLYCEROL, Integrase
Authors:Shen, Y.
Deposit date:2009-11-06
Release date:2010-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of catalytic core domain of BIV integrase: implications for the interaction between integrase and target DNA
Protein Cell, 1, 2010
3L3V
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BU of 3l3v by Molmil
Structure of HIV-1 integrase core domain in complex with sucrose
Descriptor: CADMIUM ION, POL polyprotein, SULFATE ION, ...
Authors:Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W.
Deposit date:2009-12-18
Release date:2010-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site
Febs Lett., 584, 2010
3L3U
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BU of 3l3u by Molmil
Crystal structure of the HIV-1 integrase core domain to 1.4A
Descriptor: POL polyprotein, SULFATE ION
Authors:Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W.
Deposit date:2009-12-17
Release date:2010-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site.
Febs Lett., 584, 2010
8A1Q
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BU of 8a1q by Molmil
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
8BV2
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BU of 8bv2 by Molmil
Biological and structural analysis of new potent Integrase-LEDGF allosteric HIV-1 inhibitors
Descriptor: (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION, ...
Authors:Ruff, M, Benarous, R.
Deposit date:2022-12-01
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8CT5
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BU of 8ct5 by Molmil
Catalytic Core Domain of HIV-1 Integrase (F185K)
Descriptor: Integrase, SULFATE ION
Authors:Gupta, K, Van Duyne, G.D, Eilers, G.
Deposit date:2022-05-13
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
8CT7
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BU of 8ct7 by Molmil
Catalytic Core Domain of HIV-1 Integrase (F185K) bound with BI-224436
Descriptor: (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase, ...
Authors:Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D.
Deposit date:2022-05-13
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
8CBT
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BU of 8cbt by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT872
Descriptor: (2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
Deposit date:2023-01-25
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8CBV
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BU of 8cbv by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916
Descriptor: (2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
Deposit date:2023-01-25
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8CBU
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BU of 8cbu by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884
Descriptor: (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
Deposit date:2023-01-25
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8CBR
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BU of 8cbr by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BDM-2
Descriptor: (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
Deposit date:2023-01-25
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8CBS
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BU of 8cbs by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT871
Descriptor: (2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
Deposit date:2023-01-25
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8D3S
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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
1ASW
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BU of 1asw by Molmil
AVIAN SARCOMA VIRUS INTEGRASE CATALYTIC CORE DOMAIN CRYSTALLIZED FROM 20% PEG 4000, 10% ISOPROPANOL, HEPES PH 7.5 USING SELENOMETHIONINE SUBSTITUTED PROTEIN; DATA COLLECTED AT-165 DEGREES C
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE, ISOPROPYL ALCOHOL
Authors:Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A.
Deposit date:1995-08-25
Release date:1995-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structure of the catalytic domain of avian sarcoma virus integrase.
J.Mol.Biol., 253, 1995
1BI4
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BU of 1bi4 by Molmil
CATALYTIC DOMAIN OF HIV-1 INTEGRASE
Descriptor: INTEGRASE
Authors:Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V.
Deposit date:1998-06-22
Release date:1998-11-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases.
J.Mol.Biol., 282, 1998
1B9F
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BU of 1b9f by Molmil
MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY
Descriptor: CACODYLATE ION, PROTEIN (INTEGRASE), SULFATE ION
Authors:Greenwald, J, Le, V, Butler, S.L, Bushman, F.D, Choe, S.
Deposit date:1999-02-11
Release date:1999-07-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The mobility of an HIV-1 integrase active site loop is correlated with catalytic activity.
Biochemistry, 38, 1999
1B92
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BU of 1b92 by Molmil
MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY
Descriptor: CACODYLATE ION, PROTEIN (INTEGRASE), SULFATE ION
Authors:Greenwald, J, Le, V, Butler, S.L, Bushman, F.D, Choe, S.
Deposit date:1999-02-19
Release date:1999-07-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The mobility of an HIV-1 integrase active site loop is correlated with catalytic activity.
Biochemistry, 38, 1999
1B9D
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BU of 1b9d by Molmil
MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY
Descriptor: CACODYLATE ION, PROTEIN (INTEGRASE), SULFATE ION
Authors:Greenwald, J, Le, V, Butler, S.L, Bushman, F.D, Choe, S.
Deposit date:1999-02-11
Release date:1999-07-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The mobility of an HIV-1 integrase active site loop is correlated with catalytic activity.
Biochemistry, 38, 1999
1BHL
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BU of 1bhl by Molmil
CACODYLATED CATALYTIC DOMAIN OF HIV-1 INTEGRASE
Descriptor: HIV-1 INTEGRASE
Authors:Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V.
Deposit date:1998-06-10
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases.
J.Mol.Biol., 282, 1998
1BIS
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BU of 1bis by Molmil
HIV-1 INTEGRASE CORE DOMAIN
Descriptor: HIV-1 INTEGRASE
Authors:Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R.
Deposit date:1998-06-19
Release date:1998-08-19
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
1ASU
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BU of 1asu by Molmil
AVIAN SARCOMA VIRUS INTEGRASE CATALYTIC CORE DOMAIN CRYSTALLIZED FROM 2% PEG 400, 2M AMMONIUM SULFATE, HEPES PH 7.5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE
Authors:Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A.
Deposit date:1995-08-25
Release date:1995-11-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-resolution structure of the catalytic domain of avian sarcoma virus integrase.
J.Mol.Biol., 253, 1995
1BIU
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BU of 1biu by Molmil
HIV-1 INTEGRASE CORE DOMAIN COMPLEXED WITH MG++
Descriptor: HIV-1 INTEGRASE, MAGNESIUM ION
Authors:Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R.
Deposit date:1998-06-19
Release date:1998-08-19
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
1BIZ
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BU of 1biz by Molmil
HIV-1 INTEGRASE CORE DOMAIN
Descriptor: CACODYLATE ION, HIV-1 INTEGRASE
Authors:Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R.
Deposit date:1998-06-21
Release date:1998-08-19
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998

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