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6KDN
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HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dGTP ternary complex
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
著者Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
登録日2019-07-02
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
1VRU
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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2011-07-13
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
1VRT
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HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
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2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
3V6D
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Crystal structure of HIV-1 reverse transcriptase (RT) cross-linked with AZT-terminated DNA
分子名称: DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2011-12-19
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7048 Å)
主引用文献HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
3V4I
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BU of 3v4i by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and AZTTP
分子名称: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2011-12-15
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7983 Å)
主引用文献HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
3V81
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Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and the nonnucleoside inhibitor 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, DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2011-12-22
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8503 Å)
主引用文献HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
3QO9
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Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with TSAO-T, a non-nucleoside RT inhibitor (NNRTI)
分子名称: 1-[(5R,6R,8R,9R)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, Reverse transcriptase/ ribonuclease H, p51 RT
著者Das, K, Arnold, E.
登録日2011-02-09
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of tert-Butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in Complex with HIV-1 Reverse Transcriptase (RT) Redefines the Elastic Limits of the Non-nucleoside Inhibitor-Binding Pocket.
J.Med.Chem., 54, 2011
3QIP
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Structure of HIV-1 reverse transcriptase in complex with an RNase H inhibitor and 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, 5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid, CHLORIDE ION, ...
著者Lansdon, E.B, Kirschberg, T.A.
登録日2011-01-27
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.0926 Å)
主引用文献Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.
Antimicrob.Agents Chemother., 55, 2011
3QLH
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HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket
分子名称: (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
著者Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E.
登録日2011-02-02
公開日2011-12-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
4B3O
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Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface
分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, 5'-D(*CP*GP*TP*AP*TP*GP*CP*CP*TP*AP*TP*AP*GP*TP *TP*AP*TP*TP*GP*TP*GP*GP*CP*C)-3', 5'-R(*AP*UP*GP*AP*3DRP*GP*GP*CP*CP*AP*CP*AP*AP*UP*AP *AP*CP*UP*AP*UP*AP*GP*GP*CP*AP*UP*A)-3', ...
著者Lapkouski, M, Tian, L, Miller, J.T, Le Grice, S.F.J, Yang, W.
登録日2012-07-25
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Complexes of HIV-1 RT, Nnrti and RNA/DNA Hybrid Reveal a Structure Compatible with RNA Degradation
Nat.Struct.Mol.Biol., 20, 2013
3T1A
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BU of 3t1a by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N mutant) in Complex with Inhibitor M05
分子名称: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine, Reverse Transcriptase
著者Yan, Y, Reid, J.
登録日2011-07-21
公開日2011-10-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
J.Med.Chem., 54, 2011
3T19
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Crystal structure of HIV-1 reverse transcriptase (wild type) in complex with inhibitor M05
分子名称: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine, Reverse Transcriptase
著者Yan, Y, Reid, J.
登録日2011-07-21
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
J.Med.Chem., 54, 2011
4B3Q
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Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, P51 RT, PRIMER DNA, ...
著者Lapkouski, M, Tian, L, Miller, J.T, Le Grice, S.F.J, Yang, W.
登録日2012-07-25
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献Complexes of HIV-1 RT, Nnrti and RNA/DNA Hybrid Reveal a Structure Compatible with RNA Degradation
Nat.Struct.Mol.Biol., 20, 2013
4B3P
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Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface
分子名称: DNA, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, ...
著者Lapkouski, M, Tian, L, Miller, J.T, Le Grice, S.F.J, Yang, W.
登録日2012-07-25
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (4.839 Å)
主引用文献Complexes of HIV-1 RT, Nnrti and RNA/DNA Hybrid Reveal a Structure Compatible with RNA Degradation
Nat.Struct.Mol.Biol., 20, 2013
3TAM
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BU of 3tam by Molmil
Crystal structure of HIV-1 reverse transcriptase (K103N mutant) in complex with inhibitor M06
分子名称: 3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Yan, Y.
登録日2011-08-04
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Design and synthesis of pyridone inhibitors of non-nucleoside reverse transcriptase.
Bioorg.Med.Chem.Lett., 21, 2011
2B5J
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Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R165481
分子名称: (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE, MANGANESE (II) ION, Reverse transcriptase P51 SUBUNIT, ...
著者Himmel, D.H, 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, Mguyen, C.H, Grierson, D.S, Arnold, E.
登録日2005-09-28
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 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
2B6A
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BU of 2b6a by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50
分子名称: 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE, Reverse transcriptase p51 subunit, Reverse transcriptase p66 subunit
著者Morningstar, M.L, Roth, T, Smith, M.K, Zajac, M, Watson, K, Buckheit, R.W, Das, K, Zhang, W, Arnold, E, Michejda, C.J.
登録日2005-09-30
公開日2005-11-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50
TO BE PUBLISHED
2HNZ
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Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with PETT-2
分子名称: 1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)ETHYL]-3-(5-METHYLPYRIDIN-2-YL)THIOUREA, PHOSPHATE ION, Reverse transcriptase/ribonuclease H
著者Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K.
登録日2006-07-13
公開日2006-09-05
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138.
Febs J., 273, 2006
2HMI
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HIV-1 REVERSE TRANSCRIPTASE/FRAGMENT OF FAB 28/DNA COMPLEX
分子名称: DNA (5'-D(*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*A)-3'), FAB FRAGMENT OF MONOCLONAL ANTIBODY 28, ...
著者Ding, J, Arnold, E.
登録日1998-04-10
公開日1998-10-14
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and functional implications of the polymerase active site region in a complex of HIV-1 RT with a double-stranded DNA template-primer and an antibody Fab fragment at 2.8 A resolution.
J.Mol.Biol., 284, 1998
2IAJ
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Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ...
著者Das, K, Arnold, E.
登録日2006-09-08
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097.
J.Mol.Biol., 365, 2007
2I5J
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Crystal structure of HIV-1 reverse transcriptase (RT) in complex with DHBNH, an RNASE H inhibitor
分子名称: (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE, MAGNESIUM ION, Reverse transcriptase/ribonuclease H P51 subunit, ...
著者Himmel, D.M, Sarafianos, S.G, Knight, J.L, Levy, R.M, Arnold, E.
登録日2006-08-24
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site.
Acs Chem.Biol., 1, 2006
2IC3
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BU of 2ic3 by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with Nonnucleoside Inhibitor HBY 097
分子名称: (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H (p51 RT), ...
著者Das, K, Arnold, E.
登録日2006-09-12
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097.
J.Mol.Biol., 365, 2007
2JLE
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Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays
分子名称: 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile, REVERSE TRANSCRIPTASE/RNASEH
著者Jones, L.H, Allan, G, Barba, O, Burt, C, Corbau, R, Dupont, T, Irving, S, Mowbray, C.E, Phillips, C, Swain, N.A, Webster, R, Westby, M.
登録日2008-09-08
公開日2009-08-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays.
J.Med.Chem., 52, 2009
2OPR
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Crystal Structure of K101E 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, Reverse transcriptase/ribonuclease H, p51 RT
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 (2.9 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
1C1B
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GCA-186
分子名称: 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN)
著者Hopkins, A.L, Ren, J, Tanaka, H, Baba, B, Okamato, M, Stuart, D.I, Stammers, D.K.
登録日1999-07-21
公開日2000-07-21
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants.
J.Med.Chem., 42, 1999

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