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
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6UJY
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3FFI
| HIV-1 RT with pyridone non-nucleoside inhibitor | 分子名称: | 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile, RT p51, Reverse transcriptase/ribonuclease H | 著者 | Harris, S.F, Villasenor, A. | 登録日 | 2008-12-03 | 公開日 | 2009-12-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Pyridone Diaryl Ether Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase To be Published
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1S1V
| Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with TNK-651 | 分子名称: | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, Reverse transcriptase | 著者 | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | 登録日 | 2004-01-07 | 公開日 | 2004-06-29 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors J.Mol.Biol., 336, 2004
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3T19
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1FB7
| CRYSTAL STRUCTURE OF AN IN VIVO HIV-1 PROTEASE MUTANT IN COMPLEX WITH SAQUINAVIR: INSIGHTS INTO THE MECHANISMS OF DRUG RESISTANCE | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, HIV-1 PROTEASE | 著者 | Hong, L, Zhang, X.C, Hartsuck, J.A, Tang, J. | 登録日 | 2000-07-14 | 公開日 | 2000-12-13 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of an in vivo HIV-1 protease mutant in complex with saquinavir: insights into the mechanisms of drug resistance. Protein Sci., 9, 2000
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1REV
| HIV-1 REVERSE TRANSCRIPTASE | 分子名称: | 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION | 著者 | Ren, J, Esnouf, R, Hopkins, A, Ross, C, Jones, Y, Stammers, D, Stuart, D. | 登録日 | 1995-09-17 | 公開日 | 1996-10-14 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The structure of HIV-1 reverse transcriptase complexed with 9-chloro-TIBO: lessons for inhibitor design. Structure, 3, 1995
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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
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3DMJ
| CRYSTAL STRUCTURE OF HIV-1 V106A and Y181C MUTANT REVERSE TRANSCRIPTASE IN COMPLEX WITH GW564511. | 分子名称: | N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | 著者 | Ren, J, Chamberlain, P.P, Stammers, D.K. | 登録日 | 2008-07-01 | 公開日 | 2008-08-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors. J.Med.Chem., 51, 2008
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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
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1TKT
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318 | 分子名称: | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | 登録日 | 2004-06-09 | 公開日 | 2004-12-07 | 最終更新日 | 2018-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1. J.Med.Chem., 47, 2004
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1JLF
| CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT A-chain, HIV-1 RT B-chain | 著者 | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | 登録日 | 2001-07-16 | 公開日 | 2001-10-03 | 最終更新日 | 2022-12-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors. J.Mol.Biol., 312, 2001
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1JLG
| CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781 | 分子名称: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 RT A-chain, HIV-1 RT B-chain | 著者 | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | 登録日 | 2001-07-16 | 公開日 | 2001-10-03 | 最終更新日 | 2022-12-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors. J.Mol.Biol., 312, 2001
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1LWC
| CRYSTAL STRUCTURE OF M184V MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | 著者 | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | 登録日 | 2002-05-31 | 公開日 | 2002-10-30 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215. J.Virol., 76, 2002
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6GL1
| HLA-E*01:03 in complex with the HIV epitope, RL9HIV | 分子名称: | ARG-MET-TYR-SER-PRO-THR-SER-ILE-LEU, Beta-2-microglobulin, MHC class I antigen, ... | 著者 | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | 登録日 | 2018-05-22 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.623 Å) | 主引用文献 | Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding. Nat Commun, 9, 2018
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7DZN
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6UIR
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5EU7
| Crystal structure of HIV-1 integrase catalytic core in complex with Fab | 分子名称: | FAB Heavy Chain, FAB light chain, Integrase | 著者 | Galilee, M, Griner, S.L, Stroud, R.M, Alian, A. | 登録日 | 2015-11-18 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | The Preserved HTH-Docking Cleft of HIV-1 Integrase Is Functionally Critical. Structure, 24, 2016
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6BSH
| Structure of HIV-1 RT complexed with RNA/DNA hybrid in the RNA hydrolysis mode | 分子名称: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, CALCIUM ION, DNA (5'-D(*GP*TP*AP*TP*GP*CP*CP*AP*CP*TP*AP*GP*TP*TP*AP*TP*TP*GP*TP*GP*GP*CP*C)-3'), ... | 著者 | Tian, L, Kim, M, Yang, W. | 登録日 | 2017-12-03 | 公開日 | 2018-01-03 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.649 Å) | 主引用文献 | Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1KLM
| HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH BHAP U-90152 | 分子名称: | (1-(5-METHANSULPHONAMIDO-1H-INDOL-2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE, HIV-1 REVERSE TRANSCRIPTASE | 著者 | Ren, J, Esnouf, R.M, Stammers, D.K, Stuart, D.I. | 登録日 | 1997-03-17 | 公開日 | 1998-03-18 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Unique features in the structure of the complex between HIV-1 reverse transcriptase and the bis(heteroaryl)piperazine (BHAP) U-90152 explain resistance mutations for this nonnucleoside inhibitor. Proc.Natl.Acad.Sci.USA, 94, 1997
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3DI6
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3M8P
| HIV-1 RT with NNRTI TMC-125 | 分子名称: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Harris, S.F, Villasenor, A. | 登録日 | 2010-03-18 | 公開日 | 2010-05-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg.Med.Chem.Lett., 20, 2010
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4KSE
| Crystal structure of a HIV p51 (219-230) deletion mutant | 分子名称: | 1,2-ETHANEDIOL, HIV p51 subunit | 著者 | Zheng, X, Mueller, G.A, Derose, E.F, Pedersen, L.C, Gabel, S.A, Cuneo, M.J, Krahn, J.M, London, R.E. | 登録日 | 2013-05-17 | 公開日 | 2014-08-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.677 Å) | 主引用文献 | Selective unfolding of one Ribonuclease H domain of HIV reverse transcriptase is linked to homodimer formation. Nucleic Acids Res., 42, 2014
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3KK1
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3C6U
| Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22 | 分子名称: | 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile, 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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