5IM7
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3TAM
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3LAL
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![BU of 3lal by Molmil](/molmil-images/mine/3lal) | Crystal structure of HIV-1 reverse transcriptase in complex with N1-ethyl pyrimidinedione non-nucleoside inhibitor | 分子名称: | 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION | 著者 | Lansdon, E.B, Mitchell, M.L. | 登録日 | 2010-01-06 | 公開日 | 2010-02-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 20, 2010
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1C0U
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![BU of 1c0u by Molmil](/molmil-images/mine/1c0u) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+50.0934 | 分子名称: | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | 著者 | Ren, J, Esnouf, R.M, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | 登録日 | 1999-07-19 | 公開日 | 2000-07-19 | 最終更新日 | 2014-11-12 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies. J.Med.Chem., 42, 1999
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6OR7
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![BU of 6or7 by Molmil](/molmil-images/mine/6or7) | Structure of HIV-1 Reverse Transcriptase (RT) in complex with DNA AND (-)FTC-TP | 分子名称: | DNA Primer 20-mer, DNA template 27-mer, MAGNESIUM ION, ... | 著者 | Bertoletti, N, Chan, A.H, Anderson, K.S. | 登録日 | 2019-04-29 | 公開日 | 2019-07-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine. Protein Sci., 28, 2019
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5J2P
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![BU of 5j2p by Molmil](/molmil-images/mine/5j2p) | HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and a second EFdA-MP at the N-(pre-translocation) site | 分子名称: | 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate), DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(6FM)P*(6FM))-3'), ... | 著者 | Salie, Z.L, Kirby, K.A, Sarafianos, S.G. | 登録日 | 2016-03-29 | 公開日 | 2016-08-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA). Proc.Natl.Acad.Sci.USA, 113, 2016
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6WPF
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![BU of 6wpf by Molmil](/molmil-images/mine/6wpf) | Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and d4T | 分子名称: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA Primer 21-mer, DNA template 27-mer, ... | 著者 | Bertoletti, N, Anderson, K.S. | 登録日 | 2020-04-27 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Post-Catalytic Complexes with Emtricitabine or Stavudine and HIV-1 Reverse Transcriptase Reveal New Mechanistic Insights for Nucleotide Incorporation and Drug Resistance. Molecules, 25, 2020
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3LAN
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![BU of 3lan by Molmil](/molmil-images/mine/3lan) | Crystal structure of HIV-1 reverse transcriptase in complex with N1-butyl pyrimidinedione non-nucleoside inhibitor | 分子名称: | 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION | 著者 | Lansdon, E.B, Mitchell, M.L. | 登録日 | 2010-01-06 | 公開日 | 2010-02-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 20, 2010
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1RT2
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![BU of 1rt2 by Molmil](/molmil-images/mine/1rt2) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH TNK-651 | 分子名称: | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE | 著者 | Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D. | 登録日 | 1996-03-16 | 公開日 | 1997-04-21 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors. J.Med.Chem., 39, 1996
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1RT1
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![BU of 1rt1 by Molmil](/molmil-images/mine/1rt1) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH MKC-442 | 分子名称: | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE | 著者 | Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D. | 登録日 | 1996-03-16 | 公開日 | 1997-04-21 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors. J.Med.Chem., 39, 1996
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2OPP
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![BU of 2opp by Molmil](/molmil-images/mine/2opp) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with GW420867X. | 分子名称: | ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Chan, S.J.H, Kleim, J, Stammers, D.K. | 登録日 | 2007-01-30 | 公開日 | 2007-05-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases. J.Med.Chem., 50, 2007
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6P1X
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6UJZ
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![BU of 6ujz by Molmil](/molmil-images/mine/6ujz) | HIV-1 wild-type reverse transcriptase-DNA complex with (+)-FTC-TP | 分子名称: | MAGNESIUM ION, SULFATE ION, [[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate, ... | 著者 | Lansdon, E.B. | 登録日 | 2019-10-03 | 公開日 | 2019-12-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.55642557 Å) | 主引用文献 | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance. Commun Biol, 2, 2019
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8FCC
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8FCD
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![BU of 8fcd by Molmil](/molmil-images/mine/8fcd) | HIV-1 Reverse Transcriptase in complex with 6-membered bicyclic core NNRTI | 分子名称: | 4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ... | 著者 | Lansdon, E.B. | 登録日 | 2022-12-01 | 公開日 | 2023-02-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties. J.Med.Chem., 66, 2023
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6VQY
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![BU of 6vqy by Molmil](/molmil-images/mine/6vqy) | HLA-B*27:05 presenting an HIV-1 7mer peptide | 分子名称: | 7-mer peptide, ARGININE, Beta-2-microglobulin, ... | 著者 | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | 登録日 | 2020-02-06 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection Cell Rep, 38, 2022
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4NCG
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![BU of 4ncg by Molmil](/molmil-images/mine/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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2Z1H
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![BU of 2z1h by Molmil](/molmil-images/mine/2z1h) | Crystal structure of E.coli RNase HI surface charged mutant(Q4R/T92K/Q105K/Q113R/Q115K/N143K/T145K) | 分子名称: | Ribonuclease HI | 著者 | You, D.J, Fukuchi, S, Nishikawa, K, Koga, Y, Takano, K, Kanaya, S. | 登録日 | 2007-05-08 | 公開日 | 2007-11-13 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Protein Thermostabilization Requires a Fine-tuned Placement of Surface-charged Residues J.Biochem.(Tokyo), 142, 2007
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3FFI
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![BU of 3ffi by Molmil](/molmil-images/mine/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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1FB7
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![BU of 1fb7 by Molmil](/molmil-images/mine/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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1S1V
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![BU of 1s1v by Molmil](/molmil-images/mine/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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1TKT
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![BU of 1tkt by Molmil](/molmil-images/mine/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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1REV
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![BU of 1rev by Molmil](/molmil-images/mine/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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3DRP
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![BU of 3drp by Molmil](/molmil-images/mine/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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