8CBR
 
 | | 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
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8CBV
 | | 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
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2X6N
 | | Human foamy virus integrase - catalytic core. Manganese-bound structure. | | Descriptor: | INTEGRASE, MANGANESE (II) ION | | Authors: | Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Silhan, J, Lewit-Bentley, A. | | Deposit date: | 2010-02-18 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
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3KKR
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3KKS
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3L3V
 | | 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
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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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3LPU
 | | HIV integrase | | Descriptor: | (2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic 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: | 2010-02-06 | | Release date: | 2010-05-12 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.95 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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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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3AO2
 | | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine, ... | | Authors: | Wielens, J, Chalmers, D.K, Headey, S.J, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2010-09-20 | | Release date: | 2011-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
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3AO1
 | | Fragment-based approach to the design of ligands targeting a novel site in HIV-1 integrase | | Descriptor: | 1,3-benzodioxol-5-ol, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | | Deposit date: | 2010-09-17 | | Release date: | 2011-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
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3AO5
 | | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | | Descriptor: | 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | | Deposit date: | 2010-09-21 | | Release date: | 2011-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
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3AO4
 | | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | | Descriptor: | 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | | Deposit date: | 2010-09-20 | | Release date: | 2011-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
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3AO3
 | | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | | Descriptor: | 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | | Deposit date: | 2010-09-20 | | Release date: | 2011-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
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3AVH
 | | 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 (1.88 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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3AVN
 | | 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 (2.1 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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3AVL
 | | 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 (1.88 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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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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3AVB
 | | 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 (1.85 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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3AVC
 | | 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: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.77 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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3AVK
 | | 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 (1.75 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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