PDB: 367 件ウェブページステータス検索Chemie searchBIRD

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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
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
3DLR	Crystal structure of the catalytic core domain from PFV integrase 分子名称: Integrase, MAGNESIUM ION 著者 Valkov, E, Cherepanov, P. 登録日 2008-06-29 公開日 2008-12-09 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Functional and structural characterization of the integrase from the prototype foamy virus. Nucleic Acids Res., 37, 2009
8FNG	Structure of E138K HIV-1 intasome with Dolutegravir bound 分子名称: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... 著者 Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. 登録日 2022-12-27 公開日 2023-08-09 実験手法 ELECTRON MICROSCOPY (2.2 Å) 主引用文献 Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
8FNP	Structure of E138K/G140S/Q148H HIV-1 intasome with Dolutegravir bound 分子名称: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... 著者 Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. 登録日 2022-12-28 公開日 2023-08-09 実験手法 ELECTRON MICROSCOPY (2.2 Å) 主引用文献 Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
1ASV	Avian sarcoma virus integrase catalytic core domain 分子名称: AVIAN SARCOMA VIRUS INTEGRASE 著者 Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. 登録日 1995-08-25 公開日 1995-11-14 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 High-resolution structure of the catalytic domain of avian sarcoma virus integrase. J.Mol.Biol., 253, 1995
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
5OIA	Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1 分子名称: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, MAGNESIUM ION, Pol protein, ... 著者 Ruff, M, Benarous, R. 登録日 2017-07-18 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration. J. Biol. Chem., 293, 2018
5OI2	Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1 分子名称: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION, ... 著者 Ruff, M, Benarous, R. 登録日 2017-07-18 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration. J. Biol. Chem., 293, 2018
1BHL	CACODYLATED CATALYTIC DOMAIN OF HIV-1 INTEGRASE 分子名称: HIV-1 INTEGRASE 著者 Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V. 登録日 1998-06-10 公開日 1998-10-14 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases. J.Mol.Biol., 282, 1998
6EB1	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid 分子名称: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid, Integrase 著者 Lindenberger, J.J, Kobe, M, Kvaratskhelia, M. 登録日 2018-08-03 公開日 2019-03-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors. ACS Med Chem Lett, 10, 2019
3ZSY	Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design 分子名称: (R)-(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-(CYCLOHEXYLMETHYLCARBAMOYL)PHENYL]METHYL]-METHYL-AZANIUM, ACETATE ION, INTEGRASE, ... 著者 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. 登録日 2011-07-01 公開日 2012-07-11 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
3ZT4	Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design 分子名称: 1,2-ETHANEDIOL, 5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, ... 著者 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, Deadman, J.J. 登録日 2011-07-01 公開日 2012-07-18 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design Plos One, 7, 2012
1VSL	ASV INTEGRASE CORE DOMAIN D64N MUTATION WITH ZINC CATION 分子名称: PROTEIN (INTEGRASE), ZINC ION 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 (2.2 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
1VSI	ASV INTEGRASE CORE DOMAIN WITH CA(II) COFACTOR 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, INTEGRASE 著者 Bujacz, G, Alexandratos, J, Wlodawer, A. 登録日 1997-03-04 公開日 1997-05-15 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Binding of different divalent cations to the active site of avian sarcoma virus integrase and their effects on enzymatic activity. J.Biol.Chem., 272, 1997
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
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
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
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
8S9Q	HIV-1 Integrase Catalytic Core Domain (CCD) F185H Mutant Complexed with 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 Dinh, T, Kvaratskhelia, M. 登録日 2023-03-29 公開日 2024-02-07 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 HIV-1 Integrase Catalytic Core Domain Complexed with STP-0404 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 分子名称: (2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid, IODIDE ION, Integrase, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-04-01 公開日 2021-04-07 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 HIV Integrase core domain in complex with inhibitor To Be Published
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
2X6S	Human foamy virus integrase - catalytic core. Magnesium-bound structure. 分子名称: INTEGRASE, MAGNESIUM ION 著者 Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Silhan, J, Lewit-Bentley, A. 登録日 2010-02-19 公開日 2010-08-11 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase Acta Crystallogr.,Sect.F, 66, 2010
3VQC	HIV-1 IN core domain in complex with (5-METHYL-3-PHENYL-1,2-OXAZOL-4-YL)METHANOL 分子名称: (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... 著者 Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. 登録日 2012-03-21 公開日 2013-01-30 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
5OI3	Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1 分子名称: Integrase, MAGNESIUM ION 著者 Ruff, M, Benarous, R. 登録日 2017-07-18 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration. J. Biol. Chem., 293, 2018

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