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PDB: 269 件
2FDE
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Wild type HIV protease bound with GW0385
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE, Gag-Pol polyprotein, POTASSIUM ION
著者Xu, R.X.
登録日2005-12-13
公開日2006-02-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: The discovery of GW0385.
Bioorg.Med.Chem.Lett., 16, 2006
3C6T
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BU of 3c6t by Molmil
Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 14
分子名称: 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide, 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
1C0T
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BU of 1c0t by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+21.1326
分子名称: (R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE, 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 (2.7 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
1S1W
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BU of 1s1w by Molmil
Crystal structure of V106A 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, 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 (2.7 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
3M8Q
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BU of 3m8q by Molmil
HIV-1 RT with AMINOPYRIMIDINE NNRTI
分子名称: 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile, 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 (2.7 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
3PHV
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BU of 3phv by Molmil
X-RAY ANALYSIS OF HIV-1 PROTEINASE AT 2.7 ANGSTROMS RESOLUTION CONFIRMS STRUCTURAL HOMOLOGY AMONG RETROVIRAL ENZYMES
分子名称: UNLIGANDED HIV-1 PROTEASE
著者Lapatto, R, Blundell, T.L, Hemmings, A, Wilderspin, A, Wood, S.P, Danley, D.E, Geoghegan, K.F, Hawrylik, S.J, Hobart, P.M.
登録日1991-11-04
公開日1992-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献X-ray analysis of HIV-1 proteinase at 2.7 A resolution confirms structural homology among retroviral enzymes.
Nature, 342, 1989
6UJX
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BU of 6ujx by Molmil
HIV-1 wild-type reverse transcriptase-DNA complex with (-)-FTC-TP
分子名称: DNA primer, DNA template, MAGNESIUM ION, ...
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 (2.70451212 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
6WPH
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BU of 6wph by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and (-)-FTC
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, 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2024-05-29
実験手法X-RAY DIFFRACTION (2.72 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
6WPJ
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BU of 6wpj by Molmil
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 (2.73 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
6P1I
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BU of 6p1i by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA Primer 20-mer, DNA template 27-mer, ...
著者Bertoletti, N, Anderson, K.S.
登録日2019-05-19
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.74 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
6UIS
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BU of 6uis by Molmil
HIV-1 M184V reverse transcriptase-DNA complex with dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Primer DNA, ...
著者Lansdon, E.B.
登録日2019-10-01
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.74833822 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
6CQJ
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BU of 6cqj by Molmil
Crystal structure of DR1 presenting the RQ13 peptide
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
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 (2.75 Å)
主引用文献CD4+T cell-mediated HLA class II cross-restriction in HIV controllers.
Sci Immunol, 3, 2018
6UK0
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BU of 6uk0 by Molmil
HIV-1 M184V reverse transcriptase-DNA complex
分子名称: MAGNESIUM ION, Primer DNA, SULFATE ION, ...
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 (2.75695229 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
3LAM
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BU of 3lam by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with N1-propyl pyrimidinedione non-nucleoside inhibitor
分子名称: 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile, 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 (2.76 Å)
主引用文献N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
8FCE
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BU of 8fce by Molmil
HIV-1 Reverse Transcriptase in complex with 7-membered bicyclic core NNRTI
分子名称: 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-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 (2.77 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
5XOT
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BU of 5xot by Molmil
Crystal structure of pHLA-B35 in complex with TU55 T cell receptor
分子名称: An HIV reverse transcriptase epitope, Beta-2-microglobulin, GLYCEROL, ...
著者Shi, Y, Qi, J, Gao, G.F.
登録日2017-05-31
公開日2017-06-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.787 Å)
主引用文献Conserved V delta 1 Binding Geometry in a Setting of Locus-Disparate pHLA Recognition by delta / alpha beta T Cell Receptors (TCRs): Insight into Recognition of HIV Peptides by TCRs.
J. Virol., 91, 2017
5J2Q
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BU of 5j2q by Molmil
HIV-1 reverse transcriptase in complex with DNA that has incorporated a mismatched 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 (2.789 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
3LP0
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BU of 3lp0 by Molmil
HIV-1 reverse transcriptase with inhibitor
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
著者Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
登録日2010-02-04
公開日2010-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
1JLE
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BU of 1jle by Molmil
CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE
分子名称: HIV-1 RT, A-CHAIN, 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 (2.8 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
1DTQ
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BU of 1dtq by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-1 (PETT131A94)
分子名称: HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA
著者Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K.
登録日2000-01-13
公開日2000-03-20
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
3LP2
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HIV-1 reverse transcriptase with inhibitor
分子名称: 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
著者Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
登録日2010-02-04
公開日2010-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
2WON
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BU of 2won by Molmil
Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (wild-type).
分子名称: 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile, HIV-1 REVERSE TRANSCRIPTASE
著者Phillips, C, Irving, S.L, Knoechel, T, Ringrose, H.
登録日2009-07-27
公開日2010-08-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Lersivirine: A Non-Nucleoside Reverse Transcriptase Inhibitor with Activity Against Drug- Resistant Human Immunodeficiency Virus-1.
Antimicrob.Agents Chemother., 54, 2010
1RT6
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HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC38
分子名称: 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION
著者Ren, J, Stammers, D.K, Stuart, D.I.
登録日1998-07-29
公開日1999-07-29
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives.
Biochemistry, 37, 1998
1EX4
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BU of 1ex4 by Molmil
HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, INTEGRASE
著者Chen, J.C.-H, Krucinski, J, Miercke, L.J.W, Finer-Moore, J.S, Tang, A.H, Leavitt, A.D, Stroud, R.M.
登録日2000-04-28
公開日2000-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the HIV-1 integrase catalytic core and C-terminal domains: a model for viral DNA binding.
Proc.Natl.Acad.Sci.USA, 97, 2000
1S1X
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Crystal structure of V108I 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, 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 (2.8 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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