PDB: 374 件ウェブページステータス検索Chemie searchBIRD

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8D3S	HIV-1 Integrase Catalytic Core Domain F185H Mutant Complexed with BKC-110 分子名称: (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 著者 Dinh, T, Kvaratskhelia, M. 登録日 2022-06-01 公開日 2023-06-14 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 HIV-1 Integrase Catalytic Core Domain Complexed with BKC-110 To Be Published
6UM8	HIV Integrase in complex with Compound-14 分子名称: (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, ... 著者 Khan, J.A, Kish, K. 登録日 2019-10-09 公開日 2020-03-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors. J.Med.Chem., 63, 2020
6VKA	HIV Integrase Core domain (IN) in complex with dimer-spanning ligand 分子名称: 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, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-01-19 公開日 2021-01-20 実験手法 X-RAY DIFFRACTION (1.863 Å) 主引用文献 HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor To Be Published
6VLH	HIV Integrase Core domain (IN) in complex with dimer-spanning ligand 分子名称: (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, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-01-24 公開日 2021-01-27 実験手法 X-RAY DIFFRACTION (2.036 Å) 主引用文献 HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor To Be Published
6VQS	HIV Integrase Core domain (IN) in complex with [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid 分子名称: IODIDE ION, Integrase, SULFATE ION, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-02-05 公開日 2021-02-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 HIV Integrase Core domain (IN) in complex with [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid To Be Published
6VX2	HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid 分子名称: (5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-02-21 公開日 2021-02-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid To Be Published
6W0U	HIV Integrase core domain in complex with inhibitor 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)acetic acid 分子名称: 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid, IODIDE ION, Integrase, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-03-02 公開日 2021-03-03 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 HIV Integrase core domain in complex with inhibitor To Be Published
6W42	HIV Integrase core domain in complex with inhibitor 2-(5-methyl-2-(2-(thiophen-2-yl)ethynyl)-1-benzofuran-3-yl)acetic acid 分子名称: 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid, HIV Integrase catalytic domain, IODIDE ION, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-03-09 公開日 2021-03-10 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid To Be Published
6VLM	Core Catalytic Domain of HIV Integrase in complex with virtual screening hit 分子名称: Integrase, [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid 著者 Klein, D.J, Sanders, J.M. 登録日 2020-01-24 公開日 2020-05-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery. J.Chem.Inf.Model., 60, 2020
3KKS	Crystal structure of catalytic core domain of BIV integrase in crystal form II 分子名称: ACETATE ION, GLYCEROL, Integrase 著者 Shen, Y. 登録日 2009-11-06 公開日 2010-09-22 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structures of catalytic core domain of BIV integrase: implications for the interaction between integrase and target DNA Protein Cell, 1, 2010
3L3U	Crystal structure of the HIV-1 integrase core domain to 1.4A 分子名称: POL polyprotein, SULFATE ION 著者 Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W. 登録日 2009-12-17 公開日 2010-03-31 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 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
3KKR	Crystal structure of catalytic core domain of BIV integrase in crystal form I 分子名称: Integrase, NITRATE ION 著者 Shen, Y. 登録日 2009-11-06 公開日 2010-09-22 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.453 Å) 主引用文献 Crystal structures of catalytic core domain of BIV integrase: implications for the interaction between integrase and target DNA Protein Cell, 1, 2010
3L3V	Structure of HIV-1 integrase core domain in complex with sucrose 分子名称: CADMIUM ION, POL polyprotein, SULFATE ION, ... 著者 Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W. 登録日 2009-12-18 公開日 2010-03-31 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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
3LPU	HIV integrase 分子名称: (2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ... 著者 Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z. 登録日 2010-02-06 公開日 2010-05-12 最終更新日 2021-11-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication. Nat.Chem.Biol., 6, 2010
3LPT	HIV integrase 分子名称: (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ... 著者 Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z. 登録日 2010-02-05 公開日 2010-05-12 最終更新日 2021-11-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication. Nat.Chem.Biol., 6, 2010
3AVM	Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site 分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ... 著者 Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. 登録日 2011-03-05 公開日 2012-01-18 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 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 分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ... 著者 Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. 登録日 2011-03-05 公開日 2012-01-18 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site. Chembiochem, 12, 2011
3AVH	Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site 分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ... 著者 Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. 登録日 2011-03-05 公開日 2012-01-18 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 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 分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ... 著者 Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. 登録日 2011-03-05 公開日 2012-01-18 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 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 分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ... 著者 Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. 登録日 2011-03-02 公開日 2012-01-18 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 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 分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ... 著者 Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. 登録日 2011-03-05 公開日 2012-01-18 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 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 分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ... 著者 Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. 登録日 2011-03-05 公開日 2012-01-18 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 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 分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ... 著者 Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. 登録日 2011-03-02 公開日 2012-01-18 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 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 分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ... 著者 Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. 登録日 2011-03-05 公開日 2012-02-15 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 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 分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ... 著者 Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. 登録日 2011-03-02 公開日 2012-01-18 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 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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