3LPT
 
 | | HIV integrase | | Descriptor: | (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ... | | Authors: | Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z. | | Deposit date: | 2010-02-05 | | Release date: | 2010-05-12 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Nat.Chem.Biol., 6, 2010
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6UM8
 | | HIV Integrase in complex with Compound-14 | | Descriptor: | (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, DI(HYDROXYETHYL)ETHER, Integrase, ... | | Authors: | Khan, J.A, Kish, K. | | Deposit date: | 2019-10-09 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors.
J.Med.Chem., 63, 2020
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6VKA
 | | HIV Integrase Core domain (IN) in complex with dimer-spanning ligand | | Descriptor: | 2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid, IODIDE ION, Integrase, ... | | Authors: | Gorman, M.A, Parker, M.W. | | Deposit date: | 2020-01-19 | | Release date: | 2021-01-20 | | Method: | X-RAY DIFFRACTION (1.863 Å) | | Cite: | HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor
To Be Published
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6VLH
 | | HIV Integrase Core domain (IN) in complex with dimer-spanning ligand | | Descriptor: | (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ... | | Authors: | Gorman, M.A, Parker, M.W. | | Deposit date: | 2020-01-24 | | Release date: | 2021-01-27 | | Method: | X-RAY DIFFRACTION (2.036 Å) | | Cite: | HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor
To Be Published
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6VLM
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6VQS
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6VX2
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6W0U
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6W42
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6WC8
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6WE7
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1A5W
 | | ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 | | Descriptor: | 4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID, INTEGRASE | | Authors: | Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1998-02-18 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor.
Proc.Natl.Acad.Sci.USA, 95, 1998
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1A5V
 | | ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 AND MN CATION | | Descriptor: | 4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID, INTEGRASE, MANGANESE (II) ION | | Authors: | Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1998-02-18 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor.
Proc.Natl.Acad.Sci.USA, 95, 1998
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1A5X
 | | ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 | | Descriptor: | 4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID, INTEGRASE | | Authors: | Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1998-02-18 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor.
Proc.Natl.Acad.Sci.USA, 95, 1998
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1ASV
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1ASW
 | | 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
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1B9F
 | | 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
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1BI4
 | | 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
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1B92
 | | 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
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1B9D
 | | 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
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1BHL
 | | 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
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1BIS
 | | 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
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1ASU
 | | 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
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1BIU
 | | 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
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1BIZ
 | | 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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