7TAZ
 
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with VM-1500A, a non-nucleoside RT inhibitor | | 分子名称: | 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase p51, Reverse transcriptase/ribonuclease H | | 著者 | Snyder, A.A, Risener, C.J, Kirby, K.A, Sarafianos, S.G. | | 登録日 | 2021-12-21 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with VM-1500A, a non-nucleoside RT inhibitor
To Be Published
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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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6O9E
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA and INDOPY-1 | | 分子名称: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ruiz, F.X, Hoang, A, Das, K, Arnold, E. | | 登録日 | 2019-03-13 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Basis of HIV-1 Inhibition by Nucleotide-Competing Reverse Transcriptase Inhibitor INDOPY-1.
J.Med.Chem., 62, 2019
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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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5OI5
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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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5VQX
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor | | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | 著者 | Chan, A.H, Anderson, K.S. | | 登録日 | 2017-05-09 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1HRH
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4G8G
 | | Crystal Structure of C12C TCR-HA B2705-KK10 | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ... | | 著者 | Gras, S, Wilmann, P.G, Rossjohn, J. | | 登録日 | 2012-07-23 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A Molecular Basis for the Control of Preimmune Escape Variants by HIV-Specific CD8(+) T Cells.
Immunity, 38, 2013
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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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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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8FFX
 | | Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 19980 | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase/ribonuclease H, ... | | 著者 | Rumrill, S.R, Ruiz, F.X, Arnold, E. | | 登録日 | 2022-12-10 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Targeting HIV-1 Reverse Transcriptase Using a Fragment-Based Approach.
Molecules, 28, 2023
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2BE2
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with R221239 | | 分子名称: | 4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Himmel, D.M, Das, K, Clark Jr, A.D, Hughes, S.H, Benjahad, A, Oumouch, S, Guillemont, J, Coupa, S, Poncelet, A, Csoka, I, Meyer, C, Andries, K, Nguyen, C.H, Grierson, D.S, Arnold, E. | | 登録日 | 2005-10-21 | | 公開日 | 2005-12-06 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains.
J.Med.Chem., 48, 2005
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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
 | | 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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4COE
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | 分子名称: | CHLORIDE ION, PROTEASE, methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | 著者 | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | 登録日 | 2014-01-28 | | 公開日 | 2014-12-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
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4QLH
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8U69
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-chloro-5-(4-chloro-2-(2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)benzonitrile (JLJ334), a non-nucleoside inhibitor | | 分子名称: | 3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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6CPL
 | | Crystal structure of DR11 presenting the gag293 epitope | | 分子名称: | 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, ... | | 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 (2.45 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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7LPX
 | | Crystal Structure of HIV-1 RT in Complex with NBD-14270 | | 分子名称: | Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ... | | 著者 | Losada, N, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-12 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
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7LRY
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA, (-)FTC-TP, and CA(2+) ion | | 分子名称: | AMMONIUM ION, CALCIUM ION, DNA/RNA (38-MER), ... | | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-17 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
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8U6I
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ745), a non-nucleoside inhibitor | | 分子名称: | MAGNESIUM ION, N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide, Reverse transcriptase/ribonuclease H, ... | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6O
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with5-(2-(3-oxo-3-(pyrrolidin-1-yl)propoxy)phenoxy)-2-naphthonitrile (JLJ753), a non-nucleoside inhibitor | | 分子名称: | 5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6L
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(5-chloro-2-((6-cyanonaphthalen-1-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ748), a non-nucleoside inhibitor | | 分子名称: | MAGNESIUM ION, N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, ... | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.486 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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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
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