3LAK
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![BU of 3lak by Molmil](/molmil-images/mine/3lak) | Crystal structure of HIV-1 reverse transcriptase in complex with N1-heterocycle pyrimidinedione non-nucleoside inhibitor | 分子名称: | 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile, CHLORIDE ION, HIV Reverse transcriptase, ... | 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 (2.3 Å) | 主引用文献 | N1-Heterocyclic pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 20, 2010
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2QNQ
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![BU of 2qnq by Molmil](/molmil-images/mine/2qnq) | HIV-1 Protease in complex with a chloro decorated pyrrolidine-based inhibitor | 分子名称: | CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide) | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-07-19 | 公開日 | 2008-04-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
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1HXB
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![BU of 1hxb by Molmil](/molmil-images/mine/1hxb) | HIV-1 proteinase complexed with RO 31-8959 | 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 | Graves, B.J, Hatada, M.H, Crowther, R.L. | 登録日 | 1996-09-13 | 公開日 | 1997-03-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Novel binding mode of highly potent HIV-proteinase inhibitors incorporating the (R)-hydroxyethylamine isostere. J.Med.Chem., 34, 1991
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3MEC
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![BU of 3mec by Molmil](/molmil-images/mine/3mec) | HIV-1 Reverse Transcriptase in Complex with TMC125 | 分子名称: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, SULFATE ION, p51 Reverse transcriptase, ... | 著者 | Lansdon, E.B. | 登録日 | 2010-03-31 | 公開日 | 2010-05-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design. J.Med.Chem., 53, 2010
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1ZLF
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![BU of 1zlf by Molmil](/molmil-images/mine/1zlf) | Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor | 分子名称: | N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | 著者 | Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J. | 登録日 | 2005-05-06 | 公開日 | 2006-04-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | HIV-1 protease mutations and inhibitor modifications monitored on a series of complexes. Structural basis for the effect of the A71V mutation on the active site J.Med.Chem., 49, 2006
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2OPS
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![BU of 2ops by Molmil](/molmil-images/mine/2ops) | Crystal Structure of Y188C Mutant 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, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | 著者 | Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, 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 (2.3 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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2HB2
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![BU of 2hb2 by Molmil](/molmil-images/mine/2hb2) | Structure of HIV protease 6X mutant in apo form | 分子名称: | Protease | 著者 | Heaslet, H, Tam, K, Elder, J.H, Stout, C.D. | 登録日 | 2006-06-13 | 公開日 | 2007-06-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Conformational flexibility in the flap domains of ligand-free HIV protease. Acta Crystallogr.,Sect.D, 63, 2007
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4KV8
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![BU of 4kv8 by Molmil](/molmil-images/mine/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
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3DYA
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![BU of 3dya by Molmil](/molmil-images/mine/3dya) | |
2RKI
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![BU of 2rki by Molmil](/molmil-images/mine/2rki) | Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with a triazole derived NNRTI | 分子名称: | 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole, CHLORIDE ION, GLYCEROL, ... | 著者 | Lansdon, E.B, Kirschberg, T.A. | 登録日 | 2007-10-16 | 公開日 | 2008-04-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Triazole derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase-structure-activity relationships and crystallographic analysis. Bioorg.Med.Chem.Lett., 18, 2008
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6VLM
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![BU of 6vlm by Molmil](/molmil-images/mine/6vlm) | |
1RTJ
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![BU of 1rtj by Molmil](/molmil-images/mine/1rtj) | MECHANISM OF INHIBITION OF HIV-1 REVERSE TRANSCRIPTASE BY NON-NUCLEOSIDE INHIBITORS | 分子名称: | HIV-1 REVERSE TRANSCRIPTASE | 著者 | Ren, J, Esnouf, R, Ross, C, Jones, Y, Stammers, D, Stuart, D. | 登録日 | 1995-05-03 | 公開日 | 1996-04-03 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Mechanism of inhibition of HIV-1 reverse transcriptase by non-nucleoside inhibitors. Nat.Struct.Biol., 2, 1995
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2YNF
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![BU of 2ynf by Molmil](/molmil-images/mine/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
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6EWA
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![BU of 6ewa by Molmil](/molmil-images/mine/6ewa) | Crystal structure of HLA-A2 in complex with LILRB1 | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | 著者 | Stones, D.H, Willcox, B.E, Mohammed, F. | 登録日 | 2017-11-03 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Application of the immunoregulatory receptor LILRB1 as a crystallisation chaperone for human class I MHC complexes. J. Immunol. Methods, 464, 2019
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6CPO
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![BU of 6cpo by Molmil](/molmil-images/mine/6cpo) | Crystal structure of DR15 presenting the RQ13 peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | 著者 | Farenc, C, Gras, S, Rossjohn, J. | 登録日 | 2018-03-13 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | CD4+T cell-mediated HLA class II cross-restriction in HIV controllers. Sci Immunol, 3, 2018
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3T1A
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![BU of 3t1a by Molmil](/molmil-images/mine/3t1a) | |
1VRU
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![BU of 1vru by Molmil](/molmil-images/mine/1vru) | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | 分子名称: | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE, HIV-1 REVERSE TRANSCRIPTASE | 著者 | Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | 登録日 | 1995-04-19 | 公開日 | 1996-04-03 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | High resolution structures of HIV-1 RT from four RT-inhibitor complexes. Nat.Struct.Biol., 2, 1995
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3MEE
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![BU of 3mee by Molmil](/molmil-images/mine/3mee) | HIV-1 Reverse Transcriptase in Complex with TMC278 | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ... | 著者 | Lansdon, E.B. | 登録日 | 2010-03-31 | 公開日 | 2010-05-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design. J.Med.Chem., 53, 2010
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1S1T
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![BU of 1s1t by Molmil](/molmil-images/mine/1s1t) | Crystal structure of L100I 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, PHOSPHATE ION, 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 (2.4 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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6CQL
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![BU of 6cql by Molmil](/molmil-images/mine/6cql) | Crystal structure of F24 TCR -DR11-RQ13 peptide complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F24 alpha chain, F24 beta Chain, ... | 著者 | Farenc, C, Gras, S, Rossjohn, J. | 登録日 | 2018-03-15 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | CD4+T cell-mediated HLA class II cross-restriction in HIV controllers. Sci Immunol, 3, 2018
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2RF2
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![BU of 2rf2 by Molmil](/molmil-images/mine/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
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5K14
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![BU of 5k14 by Molmil](/molmil-images/mine/5k14) | HIV-1 Reverse Transcriptase in complex with a 2,6-difluorophenyl DAPY analog | 分子名称: | 4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile, HIV-1 reverse transcriptase (isolate LW123), HIV-1 reverse transcriptase(isolate HXB2) | 著者 | Lansdon, E.B. | 登録日 | 2016-05-17 | 公開日 | 2016-06-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | 主引用文献 | Novel (2,6-difluorophenyl)(2-(phenylamino)pyrimidin-4-yl)methanones with restricted conformation as potent non-nucleoside reverse transcriptase inhibitors against HIV-1. Eur.J.Med.Chem., 122, 2016
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5J2M
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![BU of 5j2m by Molmil](/molmil-images/mine/5j2m) | HIV-1 reverse transcriptase in complex with DNA and EFdA-triphosphate, a translocation-defective RT inhibitor | 分子名称: | 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate), 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*G)-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 (2.432 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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6BSG
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![BU of 6bsg by Molmil](/molmil-images/mine/6bsg) | Structure of HIV-1 RT complexed with RNA/DNA hybrid in an RNA hydrolysis-off mode | 分子名称: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 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 (2.44 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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1M0B
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![BU of 1m0b by Molmil](/molmil-images/mine/1m0b) | HIV-1 protease in complex with an ethyleneamine inhibitor | 分子名称: | GLYCEROL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | 著者 | Petrokova, H, Hasek, J, Dohnalek, J. | 登録日 | 2002-06-12 | 公開日 | 2004-01-13 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Role of hydroxyl group and R/S configuration of isostere in binding properties of HIV-1 protease inhibitors Eur.J.Biochem., 271, 2004
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