PDB: 1192 件ウェブページステータス検索Chemie searchBIRD

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5VZ6	HIV Reverse Transcriptase complexed with (E)-3-(pyrimidin-2-yl)-N-(5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl)acrylamide 分子名称: 3-(pyrimidin-2-yl)-N-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanamide, HIV Reverse Transcriptase 著者 Yan, Y, Su, H.P. 登録日 2017-05-26 公開日 2018-05-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 HIV Reverse Transcriptase complexed with inhibitor To Be Published
4MJI	T cell response to a HIV reverse transcriptase epitope presented by the protective allele HLA-B*51:01 分子名称: Beta-2-microglobulin, HIV Reverse Transcriptase peptide Marker, HLA class I histocompatibility antigen, ... 著者 Rizkallah, P.J, Cole, D.K, Sewell, A.K, Motozono, C, Takiguchi, M. 登録日 2013-09-03 公開日 2014-05-28 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.99 Å) 主引用文献 Molecular basis of a dominant T cell response to an HIV reverse transcriptase 8-mer epitope presented by the protective allele HLA-B*51:01 J.Immunol., 192, 2014
6AOC	Crystal Structure of an N-Hydroxythienopyrimidine-2,4-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase 分子名称: 1,2-ETHANEDIOL, 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, MANGANESE (II) ION, ... 著者 Kirby, K.A, Sarafianos, S.G. 登録日 2017-08-15 公開日 2018-08-08 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Design, synthesis and biological evaluations of N-Hydroxy thienopyrimidine-2,4-diones as inhibitors of HIV reverse transcriptase-associated RNase H. Eur J Med Chem, 141, 2017
2RF2	HIV reverse transcriptase in complex with inhibitor 7e (NNRTI) 分子名称: 5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1H-indole-2-carboxamide, Reverse transcriptase/ribonuclease H (EC 2.7.7.49) (EC 2.7.7.7) (EC 3.1.26.4) (p66 RT) 著者 Yan, Y, Prasad, S. 登録日 2007-09-27 公開日 2008-01-01 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Novel indole-3-sulfonamides as potent HIV non-nucleoside reverse transcriptase inhibitors (NNRTIs). Bioorg.Med.Chem.Lett., 18, 2008
3DRS	HIV reverse transcriptase K103N mutant in complex with inhibitor R8D 分子名称: 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile, Reverse transcriptase/ribonuclease H, p66 RT 著者 Yan, Y, Prasad, S. 登録日 2008-07-11 公開日 2008-10-14 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (3.15 Å) 主引用文献 Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses. J.Med.Chem., 51, 2008
3DRR	HIV reverse transcriptase Y181C mutant in complex with inhibitor R8e 分子名称: 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT 著者 Yan, Y. 登録日 2008-07-11 公開日 2008-10-14 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses. J.Med.Chem., 51, 2008
3DRP	HIV reverse transcriptase in complex with inhibitor R8e 分子名称: 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT 著者 Yan, Y, Prasad, S. 登録日 2008-07-11 公開日 2008-10-14 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses. J.Med.Chem., 51, 2008
5J1E	Crystal Structure of a Hydroxypyridone Carboxylic Acid Active-Site RNase H Inhibitor in Complex with HIV Reverse Transcriptase 分子名称: 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid, HIV-1 REVERSE TRANSCRIPTASE P51 DOMAIN, HIV-1 REVERSE TRANSCRIPTASE P66 DOMAIN, ... 著者 Kirby, K.A, Sarafianos, S.G. 登録日 2016-03-29 公開日 2016-06-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Design, Synthesis, and Biological Evaluations of Hydroxypyridonecarboxylic Acids as Inhibitors of HIV Reverse Transcriptase Associated RNase H. J.Med.Chem., 59, 2016
3I0R	crystal structure of HIV reverse transcriptase in complex with inhibitor 3 分子名称: Reverse transcriptase/ribonuclease H, S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate, p51 RT 著者 Yan, Y, Prasad, S. 登録日 2009-06-25 公開日 2009-08-25 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.98 Å) 主引用文献 Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants. Bioorg.Med.Chem.Lett., 19, 2009
3I0S	crystal structure of HIV reverse transcriptase in complex with inhibitor 7 分子名称: Reverse transcriptase/ribonuclease H, S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate, p51 RT 著者 Yan, Y, Prasad, S. 登録日 2009-06-25 公開日 2009-08-25 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants. Bioorg.Med.Chem.Lett., 19, 2009
5TUQ	Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase 分子名称: 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION 著者 Kirby, K.A, Sarafianos, S.G. 登録日 2016-11-07 公開日 2017-06-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.705 Å) 主引用文献 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase. Eur J Med Chem, 128, 2017
7SLS	HIV Reverse Transcriptase with compound Pyr02 分子名称: 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H 著者 Klein, D.J, Zebisch, M, Gu, M. 登録日 2021-10-24 公開日 2022-11-23 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.078 Å) 主引用文献 Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1. Sci Transl Med, 15, 2023
7SLR	HIV Reverse Transcriptase with compound Pyr01 分子名称: 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H 著者 Klein, D.J, Zebisch, M, Gu, M. 登録日 2021-10-24 公開日 2022-11-23 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.179 Å) 主引用文献 Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1. Sci Transl Med, 15, 2023
6ECL	Crystal Structure of a 1,2,4-Triazole Allosteric RNase H Inhibitor in Complex with HIV Reverse Transcriptase 分子名称: 1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H 著者 Kirby, K.A, Sarafianos, S.G. 登録日 2018-08-08 公開日 2019-08-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.385 Å) 主引用文献 Crystal Structure of a 1,2,4-Triazole Allosteric RNase H Inhibitor in Complex with HIV Reverse Transcriptase To be published
5UV5	Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase 分子名称: 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... 著者 Kirby, K.A, Sarafianos, S.G. 登録日 2017-02-19 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase. Antimicrob. Agents Chemother., 61, 2017
2YNF	HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560 分子名称: 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... 著者 Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. 登録日 2012-10-14 公開日 2013-01-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
2YNI	HIV-1 Reverse Transcriptase in complex with inhibitor GSK952 分子名称: 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... 著者 Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. 登録日 2012-10-15 公開日 2013-01-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
2YNG	HIV-1 Reverse Transcriptase in complex with inhibitor GSK560 分子名称: 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, MAGNESIUM ION, P51 RT, ... 著者 Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. 登録日 2012-10-14 公開日 2013-01-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
2YNH	HIV-1 Reverse Transcriptase in complex with inhibitor GSK500 分子名称: 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, P51 RT, ... 著者 Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. 登録日 2012-10-14 公開日 2013-01-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
4RW7	Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor 分子名称: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2014-12-01 公開日 2015-04-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.014 Å) 主引用文献 Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
4RW8	Crystal Structure of HIV-1 Reverse Transcriptase in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor' 分子名称: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2014-12-01 公開日 2015-04-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.878 Å) 主引用文献 Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
4RW6	Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor 分子名称: (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2014-12-01 公開日 2015-04-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.631 Å) 主引用文献 Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
4RW9	Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor 分子名称: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2014-12-01 公開日 2015-04-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.986 Å) 主引用文献 Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
4RW4	Crystal Structure of HIV-1 Reverse Transcriptase (K103N,Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor 分子名称: (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2014-12-01 公開日 2015-04-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.674 Å) 主引用文献 Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
3C6T	Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 14 分子名称: 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase 著者 Yan, Y, Prasad, S. 登録日 2008-02-05 公開日 2008-04-22 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations. Bioorg.Med.Chem.Lett., 18, 2008

 

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