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

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4CJW	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETATE ION, INTEGRASE, ... 著者 Peat, T.S. 登録日 2013-12-23 公開日 2014-01-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CK1	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: (4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-[(4-METHOXYPHENYL)METHYLCARBAMOYL]PHENYL]METHYL]AZANIUM, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Peat, T.S. 登録日 2013-12-23 公開日 2014-01-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CK2	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 2-(1,2-benzoxazol-3-yl)ethanoic acid, ACETATE ION, INTEGRASE, ... 著者 Peat, T.S. 登録日 2013-12-24 公開日 2014-01-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CK3	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 5-[(2S)-2-{[(4-aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ... 著者 Peat, T.S. 登録日 2013-12-24 公開日 2014-01-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4DMN	HIV-1 Integrase Catalytical Core Domain 分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, ARSENIC, HIV-1 Integrase, ... 著者 Feng, L, Kvaratskhelia, M. 登録日 2012-02-08 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Multimode, cooperative mechanism of action of allosteric HIV-1 integrase inhibitors. J.Biol.Chem., 287, 2012
4E1M	Crystal Structure of HIV-1 Integrase with a non-catayltic site inhibitor 分子名称: (2S)-tert-butoxy[4-(3,4-dimethylphenyl)-2-methylquinolin-3-yl]ethanoic acid, HIV-1 Integrase 著者 Lansdon, E.B. 登録日 2012-03-06 公開日 2012-04-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 New Class of HIV-1 Integrase (IN) Inhibitors with a Dual Mode of Action. J.Biol.Chem., 287, 2012
4E1N	Crystal Structure of HIV-1 Integrase with a non-catayltic site inhibitor 分子名称: (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, HIV-1 integrase 著者 Lansdon, E.B. 登録日 2012-03-06 公開日 2012-04-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 New Class of HIV-1 Integrase (IN) Inhibitors with a Dual Mode of Action. J.Biol.Chem., 287, 2012
4E7H	PFV intasome prior to 3'-processing, Apo form (UI-Apo) 分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*AP*AP*T)-3'), GLYCEROL, ... 著者 Hare, S, Cherepanov, P. 登録日 2012-03-17 公開日 2012-05-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5701 Å) 主引用文献 3'-Processing and strand transfer catalysed by retroviral integrase in crystallo. Embo J., 31, 2012
4E7I	PFV intasome freeze-trapped prior to 3'-processing, Mn-bound form (UI-Mn) 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*AP*AP*T)-3'), ... 著者 Hare, S, Cherepanov, P. 登録日 2012-03-17 公開日 2012-05-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5301 Å) 主引用文献 3'-Processing and strand transfer catalysed by retroviral integrase in crystallo. Embo J., 31, 2012
4E7J	PFV integrase Target Capture Complex, Apo form (TCC-Apo), at 3.15 A resolution 分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*CP*TP*CP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... 著者 Maertens, G.N, Cherepanov, P. 登録日 2012-03-17 公開日 2012-05-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.1501 Å) 主引用文献 3'-Processing and strand transfer catalysed by retroviral integrase in crystallo. Embo J., 468, 2012
4E7K	PFV integrase Target Capture Complex (TCC-Mn), freeze-trapped prior to strand transfer, at 3.0 A resolution 分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*CP*TP*CP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... 著者 Maertens, G.N, Cherepanov, P. 登録日 2012-03-17 公開日 2012-05-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.02 Å) 主引用文献 3'-Processing and strand transfer catalysed by retroviral integrase in crystallo. Embo J., 31, 2012
4E7L	PFV integrase Strand Transfer Complex (STC-Mn*) following reaction in crystallo, at 3.0 A resolution. 分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... 著者 Maertens, G.N, Cherepanov, P. 登録日 2012-03-17 公開日 2012-05-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.0001 Å) 主引用文献 3'-Processing and strand transfer catalysed by retroviral integrase in crystallo. Embo J., 31, 2012
4FW1	Crystal structure of two-domain RSV INTEGRASE covalently linked with DNA 分子名称: Integrase 著者 Shi, K, Aihara, H. 登録日 2012-06-29 公開日 2013-05-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 A possible role for the asymmetric C-terminal domain dimer of Rous sarcoma virus integrase in viral DNA binding. Plos One, 8, 2013
4FW2	Crystal structure of RSV three-domain integrase with disordered N-terminal domain 分子名称: Integrase 著者 Shi, K, Aihara, H. 登録日 2012-06-29 公開日 2013-05-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 A possible role for the asymmetric C-terminal domain dimer of Rous sarcoma virus integrase in viral DNA binding. Plos One, 8, 2013
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
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
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
4IKF	PFV intasome with inhibitor MB-76 分子名称: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ... 著者 Taltynov, O, Demeulemeester, J, Desimmie, B.A, Suchaud, V, Billamboz, M, Lion, C, Bailly, F, Debyser, Z, Cotelle, P, Christ, F, Strelkov, S.V. 登録日 2012-12-26 公開日 2013-04-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 2-Hydroxyisoquinoline-1,3(2H,4H)-diones (HIDs), novel inhibitors of HIV integrase with a high barrier to resistance. Acs Chem.Biol., 8, 2013
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
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
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
4MQ3	The 1.1 Angstrom Structure of Catalytic Core Domain of FIV Integrase 分子名称: Integrase 著者 Galilee, M, Alian, A. 登録日 2013-09-15 公開日 2014-09-17 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 Identification of phe187 as a crucial dimerization determinant facilitates crystallization of a monomeric retroviral integrase core domain. Structure, 22, 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
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
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

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