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PDB: 516 件
7KRF
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BU of 7krf by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-(2-cyanovinyl)-5-fluorophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ710)
分子名称: 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7KJX
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BU of 7kjx by Molmil
Structure of HIV-1 reverse transcriptase initiation complex core 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, HIV-1 viral RNA fragment, MAGNESIUM ION, ...
著者Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V.
登録日2020-10-26
公開日2021-03-17
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs.
Nat Commun, 12, 2021
7KJV
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BU of 7kjv by Molmil
Structure of HIV-1 reverse transcriptase initiation complex core
分子名称: HIV-1 viral RNA fragment, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V.
登録日2020-10-26
公開日2021-03-17
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs.
Nat Commun, 12, 2021
7KJW
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BU of 7kjw by Molmil
Structure of HIV-1 reverse transcriptase initiation complex core with efavirenz
分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ...
著者Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V.
登録日2020-10-26
公開日2021-03-17
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs.
Nat Commun, 12, 2021
7O24
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BU of 7o24 by Molmil
Structure of the foamy viral protease-reverse transcriptase in complex with dsDNA.
分子名称: DNA (5'-D(*AP*AP*CP*AP*GP*AP*GP*TP*GP*CP*GP*AP*CP*AP*CP*CP*TP*GP*AP*TP*TP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*CP*GP*CP*AP*CP*TP*CP*TP*G)-3'), Pr125Pol
著者Nowotny, M, Czarnocki-Cieciura, M.
登録日2021-03-30
公開日2021-06-30
最終更新日2022-01-19
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structures of Substrate Complexes of Foamy Viral Protease-Reverse Transcriptase.
J.Virol., 95, 2021
7KWU
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BU of 7kwu by Molmil
Crystal Structure of HIV-1 RT in Complex with 16c (K07-15)
分子名称: 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ...
著者Ruiz, F.X, Arnold, E.
登録日2020-12-02
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies.
J.Med.Chem., 64, 2021
7O0G
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BU of 7o0g by Molmil
Structure of the foamy viral protease-reverse transcriptase in complex with RNA/DNA hybrid.
分子名称: DNA (5'-D(*CP*CP*TP*CP*TP*CP*CP*TP*GP*GP*AP*CP*AP*AP*G)-3'), Pr125Pol, RNA (5'-R(*UP*UP*CP*UP*UP*GP*UP*CP*CP*AP*GP*GP*AP*GP*AP*GP*G)-3')
著者Nowak, E, Nowacka, M, Nowotny, M.
登録日2021-03-26
公開日2021-06-30
最終更新日2022-01-19
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of Substrate Complexes of Foamy Viral Protease-Reverse Transcriptase.
J.Virol., 95, 2021
7KSE
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BU of 7kse by Molmil
Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase CSH mutant (selenomethionine-labeled)
分子名称: CALCIUM ION, Peptidase A9/Reverse transcriptase/RNase H
著者Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E.
登録日2020-11-21
公開日2021-08-11
最終更新日2021-09-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT).
Viruses, 13, 2021
7KSF
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BU of 7ksf by Molmil
Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase (native)
分子名称: CALCIUM ION, Protease/Reverse transcriptase/ribonuclease H
著者Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E.
登録日2020-11-21
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT).
Viruses, 13, 2021
2HNZ
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BU of 2hnz by Molmil
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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BU of 2hmi by Molmil
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
2JLE
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BU of 2jle by Molmil
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
4Q0B
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BU of 4q0b by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with gap-RNA/DNA 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'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', 5'-R(*AP*UP*GP*GP*UP*CP*GP*GP*CP*GP*CP*CP*CP*G)-3', ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2014-04-01
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
2I5J
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BU of 2i5j by Molmil
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
4PWD
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BU of 4pwd by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with bulge-RNA/DNA 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'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', 5'-R(*AP*UP*GP*GP*UP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*AP*CP*AP*GP*GP*GP*AP*CP*UP*GP*U)-3', ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2014-03-19
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
4PQU
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BU of 4pqu by Molmil
Crystal structure of HIV-1 Reverse Transcriptase in complex with RNA/DNA and dATP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', ...
著者Das, K, Bandwar, R.P, Arnold, E.
登録日2014-03-04
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.508 Å)
主引用文献Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
4O44
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BU of 4o44 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ529), a non-nucleoside inhibitor
分子名称: 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ...
著者Mislak, A.C, Frey, K.M, Anderson, K.S.
登録日2013-12-18
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.889 Å)
主引用文献A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.
Biochim.Biophys.Acta, 1840, 2014
4O4G
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BU of 4o4g by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ527), a non-nucleoside inhibitor
分子名称: 4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ...
著者Mislak, A.C, Frey, K.M.
登録日2013-12-18
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.712 Å)
主引用文献A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.
Biochim.Biophys.Acta, 1840, 2014
2IAJ
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BU of 2iaj by Molmil
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
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
4PUO
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BU of 4puo by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with RNA/DNA 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'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', 5'-R(P*AP*UP*GP*GP*UP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*UP*GP*UP*G)-3', ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2014-03-13
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
2HNY
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BU of 2hny by Molmil
Crystal Structure of E138K 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, MAGNESIUM ION, PHOSPHATE ION, ...
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 (2.5 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
2HND
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BU of 2hnd by Molmil
Crystal Structure of K101E 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, MAGNESIUM ION, PHOSPHATE ION, ...
著者Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K.
登録日2006-07-12
公開日2006-09-05
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.5 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
4NCG
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Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
分子名称: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Yan, Y.
登録日2013-10-24
公開日2014-02-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24, 2014
4R5P
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BU of 4r5p by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and a nucleoside triphosphate mimic alpha-carboxy nucleoside phosphonate inhibitor
分子名称: 5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3', 5'-D(*TP*GP*GP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3', HIV-1 reverse transcriptase, ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2014-08-21
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.894 Å)
主引用文献Alpha-carboxy nucleoside phosphonates as universal nucleoside triphosphate mimics.
Proc.Natl.Acad.Sci.USA, 112, 2015

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