1CXQ
 
 | | ATOMIC RESOLUTION ASV INTEGRASE CORE DOMAIN FROM AMMONIUM SULFATE | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE, GLYCEROL | | Authors: | Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Merkel, G, Skalka, A.M, Wlodawer, A. | | Deposit date: | 1999-08-30 | | Release date: | 1999-09-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant.
Biochemistry, 38, 1999
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1CZB
 | | ATOMIC RESOLUTION ASV INTEGRASE CORE DOMAIN FROM HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE | | Authors: | Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Merkel, G, Skalka, A.M, Wlodawer, A. | | Deposit date: | 1999-09-01 | | Release date: | 1999-09-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant.
Biochemistry, 38, 1999
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4MQ3
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1CZ9
 | | ATOMIC RESOLUTION ASV INTEGRASE CORE DOMAIN (D64N) FROM CITRATE | | Descriptor: | AVIAN SARCOMA VIRUS INTEGRASE, CITRIC ACID, SULFATE ION | | Authors: | Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Merkel, G, Skalka, A.M, Wlodawer, A. | | Deposit date: | 1999-09-01 | | Release date: | 1999-09-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant.
Biochemistry, 38, 1999
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3L3U
 | | 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
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1CXU
 | | 1.42A RESOLUTION ASV INTEGRASE CORE DOMAIN FROM CITRATE | | Descriptor: | CITRIC ACID, GLYCEROL, PROTEIN (AVIAN SARCOMA VIRUS INTEGRASE) | | Authors: | Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1999-08-30 | | Release date: | 1999-09-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant.
Biochemistry, 38, 1999
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3WNF
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3WNH
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8WF7
 | | 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
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3O4Q
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1EXQ
 | | 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
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3VQ8
 | | HIV-1 IN core domain in complex with (3R)-3,4-dihydro-2H-chromen-3-ylmethanol | | Descriptor: | (3R)-3,4-dihydro-2H-chromen-3-ylmethanol, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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3VQ7
 | | HIV-1 IN core domain in complex with 4-(1H-pyrrol-1-yl)aniline | | Descriptor: | 4-(1H-pyrrol-1-yl)aniline, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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4CF8
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | (2S)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(phenylmethyl)carbamoyl]phenyl]methylamino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, 1,2-ETHANEDIOL, ACETIC ACID, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-11-14 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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5KRT
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3ZSQ
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | 5-[[[2-[[(1S)-1-(4-METHOXYPHENYL)BUTYL]CARBAMOYL]PHENYL]METHYL-PROP-2-ENYL-AMINO]METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, GLYCEROL, ... | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | Deposit date: | 2011-06-30 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
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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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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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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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5KRS
 | | HIV-1 Integrase Catalytic Core Domain in Complex with an Allosteric Inhibitor, 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid | | Descriptor: | 3-pyrrol-1-ylthiophene-2-carboxylic acid, DIMETHYL SULFOXIDE, Integrase | | Authors: | Patel, D, Bauman, J.D, Arnold, E. | | Deposit date: | 2016-07-07 | | Release date: | 2016-09-28 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain.
J.Biol.Chem., 291, 2016
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3AVA
 | | Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site | | Descriptor: | ACETIC ACID, CHLORIDE ION, Integrase, ... | | Authors: | Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. | | Deposit date: | 2011-03-02 | | Release date: | 2012-01-18 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
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3AVI
 | | Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site | | Descriptor: | ACETIC ACID, CHLORIDE ION, Integrase, ... | | Authors: | Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. | | Deposit date: | 2011-03-05 | | Release date: | 2012-02-15 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
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3AV9
 | | Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site | | Descriptor: | ACETIC ACID, CHLORIDE ION, Integrase, ... | | Authors: | Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. | | Deposit date: | 2011-03-02 | | Release date: | 2012-01-18 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
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3AVF
 | | Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site | | Descriptor: | ACETIC ACID, CHLORIDE ION, Integrase, ... | | Authors: | Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. | | Deposit date: | 2011-03-05 | | Release date: | 2012-01-18 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
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3AVJ
 | | Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site | | Descriptor: | ACETIC ACID, CHLORIDE ION, Integrase, ... | | Authors: | Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. | | Deposit date: | 2011-03-05 | | Release date: | 2012-01-18 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
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