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6WC8	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	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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
3AVM	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
3AVG	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
3DLR	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
3VQ5	HIV-1 IN core domain in complex with N-METHYL-1-(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)METHANAMINE Descriptor: CADMIUM ION, CHLORIDE ION, N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine, ... 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 (1.7 Å) Cite: Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
3VQ4	Fragments bound to HIV-1 integrase Descriptor: (5-phenyl-1,2-oxazol-3-yl)methanol, 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 (1.9 Å) Cite: Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
3VQ6	HIV-1 IN core domain in complex with (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol Descriptor: (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol, 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 (1.8 Å) Cite: Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
3VQC	HIV-1 IN core domain in complex with (5-METHYL-3-PHENYL-1,2-OXAZOL-4-YL)METHANOL Descriptor: (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... Authors: Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. Deposit date: 2012-03-21 Release date: 2013-01-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.3 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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