PDB: 542 件ウェブページステータス検索Chemie searchBIRD

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4B3P	Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface 分子名称: DNA, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, ... 著者 Lapkouski, M, Tian, L, Miller, J.T, Le Grice, S.F.J, Yang, W. 登録日 2012-07-25 公開日 2013-01-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (4.839 Å) 主引用文献 Complexes of HIV-1 RT, Nnrti and RNA/DNA Hybrid Reveal a Structure Compatible with RNA Degradation Nat.Struct.Mol.Biol., 20, 2013
4B3O	Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface 分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, 5'-D(*CP*GP*TP*AP*TP*GP*CP*CP*TP*AP*TP*AP*GP*TP *TP*AP*TP*TP*GP*TP*GP*GP*CP*C)-3', 5'-R(*AP*UP*GP*AP*3DRP*GP*GP*CP*CP*AP*CP*AP*AP*UP*AP *AP*CP*UP*AP*UP*AP*GP*GP*CP*AP*UP*A)-3', ... 著者 Lapkouski, M, Tian, L, Miller, J.T, Le Grice, S.F.J, Yang, W. 登録日 2012-07-25 公開日 2013-01-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Complexes of HIV-1 RT, Nnrti and RNA/DNA Hybrid Reveal a Structure Compatible with RNA Degradation Nat.Struct.Mol.Biol., 20, 2013
4I2P	Crystal structure of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) based analogue 分子名称: (2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile, Gag-Pol polyprotein 著者 Patel, D, Bauman, J.D, Das, K, Arnold, E. 登録日 2012-11-22 公開日 2013-01-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2964 Å) 主引用文献 A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants. Retrovirology, 9, 2012
4I2Q	Crystal structure of K103N/Y181C mutant of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) analogue 分子名称: (2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile, 1,2-ETHANEDIOL, Gag-Pol polyprotein 著者 Patel, D, Bauman, J.D, Das, K, Arnold, E. 登録日 2012-11-22 公開日 2013-01-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.7004 Å) 主引用文献 A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants. Retrovirology, 9, 2012
4B3Q	Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface 分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, P51 RT, PRIMER DNA, ... 著者 Lapkouski, M, Tian, L, Miller, J.T, Le Grice, S.F.J, Yang, W. 登録日 2012-07-25 公開日 2013-01-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (5 Å) 主引用文献 Complexes of HIV-1 RT, Nnrti and RNA/DNA Hybrid Reveal a Structure Compatible with RNA Degradation Nat.Struct.Mol.Biol., 20, 2013
4ICL	HIV-1 reverse transcriptase with bound fragment at the incoming dNTP binding site 分子名称: 4-(4-methylpiperazin-1-yl)benzoic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... 著者 Bauman, J.D, Patel, D, Arnold, E. 登録日 2012-12-10 公開日 2013-02-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
4IG0	HIV-1 reverse transcriptase with bound fragment at the 507 site 分子名称: 2-({[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1H)-one, DIMETHYL SULFOXIDE, P51 RT, ... 著者 Bauman, J.D, Patel, D, Arnold, E. 登録日 2012-12-15 公開日 2013-02-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
4IFY	HIV-1 reverse transcriptase with bound fragment at the Knuckles site 分子名称: 1-[4-(trifluoromethoxy)phenyl]methanamine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... 著者 Bauman, J.D, Patel, D, Arnold, E. 登録日 2012-12-15 公開日 2013-02-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
4IG3	HIV-1 reverse transcriptase with bound fragment near Knuckles site 分子名称: (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... 著者 Bauman, J.D, Patel, D, Arnold, E. 登録日 2012-12-15 公開日 2013-02-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
4IFV	Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening 分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, Exoribonuclease H, ... 著者 Bauman, J.D, Patel, D, Fromer, M, Arnold, E. 登録日 2012-12-15 公開日 2013-02-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
4ID5	HIV-1 reverse transcriptase with bound fragment at the RNase H primer grip site 分子名称: 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... 著者 Bauman, J.D, Patel, D, Arnold, E. 登録日 2012-12-11 公開日 2013-02-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
4G1Q	Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug 分子名称: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, MAGNESIUM ION, ... 著者 Bauman, J.D, Patel, D, Das, K, Arnold, E. 登録日 2012-07-11 公開日 2013-02-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase. Nat Chem, 5, 2013
4IDK	HIV-1 reverse transcriptase with bound fragment at the 428 site 分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... 著者 Bauman, J.D, Patel, D, Arnold, E. 登録日 2012-12-12 公開日 2013-02-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
4I7F	HIV-1 Reverse Transcriptase in complex with a phosphonate analog of nevirapine 分子名称: CHLORIDE ION, MAGNESIUM ION, Reverse transcriptase, ... 著者 Lansdon, E.B, Parrish, J. 登録日 2012-11-30 公開日 2013-02-20 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Synthesis and biological evaluation of phosphonate analogues of nevirapine. Bioorg.Med.Chem.Lett., 23, 2013
4HKQ	XMRV reverse transcriptase in complex with RNA/DNA hybrid 分子名称: DNA (5'-D(*TP*GP*GP*AP*AP*TP*CP*A*GP*GP*TP*GP*TP*CP*GP*CP*AP*CP*TP*CP*TP*G)-3'), RNA (5'-R(*AP*AP*CP*AP*GP*AP*GP*UP*GP*CP*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*CP*CP*AP*U)-3'), Reverse transcriptase/ribonuclease H p80 著者 Nowak, E, Potrzebowski, W, Konarev, P.V, Rausch, J.W, Bona, M.K, Svergun, D.I, Bujnicki, J.M, Le Grice, S.F.J, Nowotny, M. 登録日 2012-10-15 公開日 2013-02-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.04 Å) 主引用文献 Structural analysis of monomeric retroviral reverse transcriptase in complex with an RNA/DNA hybrid Nucleic Acids Res., 41, 2013
4KFB	HIV-1 reverse transcriptase with bound fragment at NNRTI adjacent site 分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, P51 RT, ... 著者 Bauman, J.D, Patel, D, Arnold, E. 登録日 2013-04-26 公開日 2013-05-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.854 Å) 主引用文献 Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
4KV8	Crystal structure of HIV RT in complex with BILR0355BS 分子名称: 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one, HIV Reverse transcriptase P51, HIV Reverse transcriptase P66, ... 著者 Coulombe, R. 登録日 2013-05-22 公開日 2013-07-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 N- versus O-alkylation: Utilizing NMR methods to establish reliable primary structure determinations for drug discovery. Bioorg.Med.Chem.Lett., 23, 2013
4KKO	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((4-methoxy-6-(2-morpholinoethoxy)-1,3,5-triazin-2-yl)amino)-2-((3-methylbut-2-en-1-yl)oxy)benzonitrile (JLJ513), a non-nucleoside inhibitor 分子名称: 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2013-05-06 公開日 2013-08-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility. Bioorg.Med.Chem.Lett., 23, 2013
4KO0	CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH an anilinylpyrimidine derivative (JLJ-135) 分子名称: 1,2-ETHANEDIOL, 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile, HIV-1 reverse transcriptase, ... 著者 Das, K, Bauman, J.D, Arnold, E. 登録日 2013-05-10 公開日 2013-08-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility. Bioorg.Med.Chem.Lett., 23, 2013
4MH8	The crystal structure of the monomeric reverse transcriptase from moloney murine leukemia virus 分子名称: Reverse transcriptase/ribonuclease H p80 著者 Das, D, Georgiadis, M.M. 登録日 2013-08-29 公開日 2013-10-16 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 The crystal structure of the monomeric reverse transcriptase from Moloney murine leukemia virus. Structure, 12, 2004
4MFB	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor 分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, HIV-1 reverse transcriptase, p51 subunit, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2013-08-27 公開日 2013-11-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl Group. J.Am.Chem.Soc., 135, 2013
4LSN	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ518), a non-nucleoside inhibitor 分子名称: (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, HIV-1 reverse transcriptase, p51 subunit, ... 著者 Gray, W.T, Frey, K.M, Anderson, K.S. 登録日 2013-07-22 公開日 2013-12-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase. Chem.Biol.Drug Des., 83, 2014
4LSL	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ476), a non-nucleoside inhibitor 分子名称: (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, HIV-1 reverse transcriptase, p51 subunit, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2013-07-22 公開日 2013-12-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase. Chem.Biol.Drug Des., 83, 2014
4NCG	Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses 分子名称: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT 著者 Yan, Y. 登録日 2013-10-24 公開日 2014-02-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses. Bioorg.Med.Chem.Lett., 24, 2014
4OL8	Ty3 reverse transcriptase bound to DNA/RNA 分子名称: 5'-D(*CP*AP*TP*CP*TP*TP*CP*CP*TP*CP*TP*CP*TP*CP*TP*C)-3', 5'-R(*CP*UP*GP*AP*GP*AP*GP*AP*GP*AP*GP*GP*AP*AP*GP*AP*UP*G)-3', Reverse transcriptase/ribonuclease H, ... 著者 Nowak, E, Miller, J.T, Bona, M.K, Studnicka, J, Szczepanowski, R.H, Jurkowski, J, Le Grice, S.F.J, Nowotny, M. 登録日 2014-01-23 公開日 2014-03-05 最終更新日 2014-04-16 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Ty3 reverse transcriptase complexed with an RNA-DNA hybrid shows structural and functional asymmetry. Nat.Struct.Mol.Biol., 21, 2014

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