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

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4GVM	HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor 分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein 著者 Feng, L, Kvaratskhelia, M. 登録日 2012-08-30 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors. J.Biol.Chem., 288, 2013
8WF7	The Crystal Structure of integrase from Biortus 分子名称: ACETATE ION, Integrase, SULFATE ION 著者 Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. 登録日 2023-09-19 公開日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 The Crystal Structure of integrase from Biortus To Be Published
4GW6	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor 分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein 著者 Feng, L, Kvaratskhelia, M. 登録日 2012-08-31 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors. J.Biol.Chem., 288, 2013
6QBT	Structure of the HTLV-2 integrase catalytic core domain in complex with magnesium (trimeric form) 分子名称: HTLV-2 integrase catalytic core domain, MAGNESIUM ION 著者 Barski, M.S, Minnell, J.J, Maertens, G.N. 登録日 2018-12-21 公開日 2020-09-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56 gamma. Nat Commun, 11, 2020
4ID1	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor 分子名称: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Gag-Pol polyprotein, SULFATE ION 著者 Feng, L, Kvaratskhelia, M. 登録日 2012-12-11 公開日 2013-05-01 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Allosteric integrase inhibitor potency is determined through the inhibition of HIV-1 particle maturation. Proc.Natl.Acad.Sci.USA, 110, 2013
4LH5	Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration 分子名称: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, MAGNESIUM ION 著者 Ruff, M, Levy, N, Eiler, S. 登録日 2013-06-30 公開日 2013-12-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage. Retrovirology, 10, 2013
4LH4	Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration 分子名称: Integrase, MAGNESIUM ION 著者 Ruff, M, Levy, N, Eiler, S. 登録日 2013-06-30 公開日 2013-12-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage. Retrovirology, 10, 2013
6QBV	Structure of the HTLV-2 integrase catalytic core domain in complex with magnesium (dimeric form) 分子名称: Integrase, MAGNESIUM ION 著者 Barski, M.S, Maertens, G.N. 登録日 2018-12-21 公開日 2020-09-30 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56 gamma. Nat Commun, 11, 2020
6QBW	Structure of the HTLV-2 integrase catalytic core domain in complex with calcium 分子名称: CALCIUM ION, integrase 著者 Barski, M.S, Maertens, G.N. 登録日 2018-12-21 公開日 2020-09-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56 gamma. Nat Commun, 11, 2020
4O0J	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid 分子名称: (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION 著者 Feng, L, Kvaratskhelia, M. 登録日 2013-12-13 公開日 2014-07-02 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase. Plos Pathog., 10, 2014
4NYF	HIV integrase in complex with inhibitor 分子名称: (2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid, CADMIUM ION, Integrase 著者 Coulombe, R, Fader, L. 登録日 2013-12-10 公開日 2014-06-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1. ACS Med Chem Lett, 5, 2014
4O5B	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid 分子名称: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION 著者 Feng, L, Kvaratskhelia, M. 登録日 2013-12-19 公開日 2014-07-02 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase. Plos Pathog., 10, 2014
4O55	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid 分子名称: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION 著者 Feng, L, Kvaratskhelia, M. 登録日 2013-12-19 公開日 2014-07-02 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase. Plos Pathog., 10, 2014
4JLH	HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor 分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, HIV-1 Integrase catalytic core domain, SULFATE ION 著者 Feng, L, Kvaratskhelia, M. 登録日 2013-03-12 公開日 2013-05-01 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors. J.Biol.Chem., 288, 2013
7KE0	HIV-1 Integrase catalytic core domain complexed with allosteric inhibitor STP03-0404 分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase 著者 Lindenberger, J.J, Kvaratskhelia, M. 登録日 2020-10-09 公開日 2021-09-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 A highly potent and safe pyrrolopyridine-based allosteric HIV-1 integrase inhibitor targeting host LEDGF/p75-integrase interaction site. Plos Pathog., 17, 2021
8A1P	HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D 分子名称: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... 著者 Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. 登録日 2022-06-01 公開日 2023-02-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function. Mbio, 14, 2023
8A1Q	HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir) 分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, 1,2-ETHANEDIOL, Integrase, ... 著者 Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. 登録日 2022-06-01 公開日 2023-02-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function. Mbio, 14, 2023
1VSM	ASV INTEGRASE CORE DOMAIN IN CITRATE BUFFER PH 5.0 分子名称: PROTEIN (INTEGRASE) 著者 Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A. 登録日 1998-09-18 公開日 1998-09-23 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural basis for inactivating mutations and pH-dependent activity of avian sarcoma virus integrase. J.Biol.Chem., 273, 1998
1VSE	ASV INTEGRASE CORE DOMAIN WITH MG(II) COFACTOR AND HEPES LIGAND, LOW MG CONCENTRATION FORM 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE 著者 Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. 登録日 1995-11-29 公開日 1996-04-03 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The catalytic domain of avian sarcoma virus integrase: conformation of the active-site residues in the presence of divalent cations. Structure, 4, 1996
1VSF	ASV INTEGRASE CORE DOMAIN WITH MN(II) COFACTOR AND HEPES LIGAND, HIGH MG CONCENTRATION FORM 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE, MANGANESE (II) ION 著者 Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. 登録日 1995-11-29 公開日 1996-04-03 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The catalytic domain of avian sarcoma virus integrase: conformation of the active-site residues in the presence of divalent cations. Structure, 4, 1996
1VSK	ASV INTEGRASE CORE DOMAIN D64N MUTATION IN CITRATE BUFFER PH 6.0 分子名称: INTEGRASE 著者 Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A. 登録日 1998-09-18 公開日 1998-12-02 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural basis for inactivating mutations and pH-dependent activity of avian sarcoma virus integrase. J.Biol.Chem., 273, 1998
7LQP	Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening 分子名称: 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid, IODIDE ION, Integrase, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2021-02-15 公開日 2022-02-23 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening To Be Published
7L1P	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 2020-12-15 公開日 2021-12-22 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 HIV Integrase core domain in complex with inhibitor To Be Published
7L23	HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid 分子名称: 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid, IODIDE ION, Integrase, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-12-16 公開日 2021-12-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening To Be Published
7L2Y	HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid 分子名称: 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid, IODIDE ION, Integrase, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-12-17 公開日 2021-12-22 実験手法 X-RAY DIFFRACTION (1.982 Å) 主引用文献 HIV Integrase core domain in complex with inhibitor To Be Published

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