2OPS
| Crystal Structure of Y188C Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. | Descriptor: | ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K. | Deposit date: | 2007-01-30 | Release date: | 2007-05-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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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4KV8
| Crystal structure of HIV RT in complex with BILR0355BS | Descriptor: | 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, ... | Authors: | Coulombe, R. | Deposit date: | 2013-05-22 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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
| HIV-1 RT with non-nucleoside inhibitor annulated Pyrazole 1 | Descriptor: | 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, p51 RT | Authors: | Harris, S.F, Villasenor, A. | Deposit date: | 2008-07-25 | Release date: | 2008-11-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase J.Med.Chem., 51, 2008
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2RKI
| Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with a triazole derived NNRTI | Descriptor: | 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole, CHLORIDE ION, GLYCEROL, ... | Authors: | Lansdon, E.B, Kirschberg, T.A. | Deposit date: | 2007-10-16 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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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1RTJ
| MECHANISM OF INHIBITION OF HIV-1 REVERSE TRANSCRIPTASE BY NON-NUCLEOSIDE INHIBITORS | Descriptor: | HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Esnouf, R, Ross, C, Jones, Y, Stammers, D, Stuart, D. | Deposit date: | 1995-05-03 | Release date: | 1996-04-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Mechanism of inhibition of HIV-1 reverse transcriptase by non-nucleoside inhibitors. Nat.Struct.Biol., 2, 1995
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2YNF
| HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560 | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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6EWA
| Crystal structure of HLA-A2 in complex with LILRB1 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Stones, D.H, Willcox, B.E, Mohammed, F. | Deposit date: | 2017-11-03 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | 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
| Crystal structure of DR15 presenting the RQ13 peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | Farenc, C, Gras, S, Rossjohn, J. | Deposit date: | 2018-03-13 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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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1VRU
| HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | Descriptor: | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | Deposit date: | 1995-04-19 | Release date: | 1996-04-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High resolution structures of HIV-1 RT from four RT-inhibitor complexes. Nat.Struct.Biol., 2, 1995
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3MEE
| HIV-1 Reverse Transcriptase in Complex with TMC278 | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ... | Authors: | Lansdon, E.B. | Deposit date: | 2010-03-31 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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
| Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with UC-781 | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, PHOSPHATE ION, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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
| Crystal structure of F24 TCR -DR11-RQ13 peptide complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F24 alpha chain, F24 beta Chain, ... | Authors: | Farenc, C, Gras, S, Rossjohn, J. | Deposit date: | 2018-03-15 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CD4+T cell-mediated HLA class II cross-restriction in HIV controllers. Sci Immunol, 3, 2018
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2RF2
| HIV reverse transcriptase in complex with inhibitor 7e (NNRTI) | Descriptor: | 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) | Authors: | Yan, Y, Prasad, S. | Deposit date: | 2007-09-27 | Release date: | 2008-01-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Novel indole-3-sulfonamides as potent HIV non-nucleoside reverse transcriptase inhibitors (NNRTIs). Bioorg.Med.Chem.Lett., 18, 2008
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5K14
| HIV-1 Reverse Transcriptase in complex with a 2,6-difluorophenyl DAPY analog | Descriptor: | 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) | Authors: | Lansdon, E.B. | Deposit date: | 2016-05-17 | Release date: | 2016-06-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | 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
| HIV-1 reverse transcriptase in complex with DNA and EFdA-triphosphate, a translocation-defective RT inhibitor | Descriptor: | 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'), ... | Authors: | Salie, Z.L, Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2016-03-29 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.432 Å) | Cite: | 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
| Structure of HIV-1 RT complexed with RNA/DNA hybrid in an RNA hydrolysis-off mode | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tian, L, Kim, M, Yang, W. | Deposit date: | 2017-12-03 | Release date: | 2018-01-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | 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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6CPL
| Crystal structure of DR11 presenting the gag293 epitope | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Farenc, C, Gras, S, Rossjohn, J. | Deposit date: | 2018-03-13 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | CD4+T cell-mediated HLA class II cross-restriction in HIV controllers. Sci Immunol, 3, 2018
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4QLH
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2YNI
| HIV-1 Reverse Transcriptase in complex with inhibitor GSK952 | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | Authors: | 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. | Deposit date: | 2012-10-15 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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1C1B
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GCA-186 | Descriptor: | 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | Authors: | Hopkins, A.L, Ren, J, Tanaka, H, Baba, B, Okamato, M, Stuart, D.I, Stammers, D.K. | Deposit date: | 1999-07-21 | Release date: | 2000-07-21 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants. J.Med.Chem., 42, 1999
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1FK9
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | Authors: | Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K. | Deposit date: | 2000-08-09 | Release date: | 2000-11-03 | Last modified: | 2017-02-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase. STRUCTURE FOLD.DES., 8, 2000
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1EP4
| Crystal structure of HIV-1 reverse transcriptase in complex with S-1153 | Descriptor: | 5-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL-1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL-2-YL-METHYL CARBAMATE, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Nichols, C, Bird, L.E, Fujiwara, T, Suginoto, H, Stuart, D.I, Stammers, D.K. | Deposit date: | 2000-03-27 | Release date: | 2000-09-27 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Binding of the second generation non-nucleoside inhibitor S-1153 to HIV-1 reverse transcriptase involves extensive main chain hydrogen bonding. J.Biol.Chem., 275, 2000
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4I7F
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6CQN
| Crystal structure of F5 TCR -DR11-RQ13 peptide complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, F5 alpha chain, ... | Authors: | Farenc, C, Gras, S, Rossjohn, J. | Deposit date: | 2018-03-15 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | CD4+T cell-mediated HLA class II cross-restriction in HIV controllers. Sci Immunol, 3, 2018
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