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2FJW
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BU of 2fjw by Molmil
d(CTTGAATGCATTCAAG) in complex with MMLV RT catalytic fragment
分子名称: 5'-D(*CP*TP*TP*GP*AP*AP*TP*G)-3', 5'-D(P*CP*AP*TP*TP*CP*AP*AP*G)-3', Reverse transcriptase
著者Goodwin, K.D, Georgiadis, M.M.
登録日2006-01-03
公開日2006-06-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A High-Throughput, High-Resolution Strategy for the Study of Site-Selective DNA Binding Agents: Analysis of a "Highly Twisted" Benzimidazole-Diamidine.
J.Am.Chem.Soc., 128, 2006
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
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
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
2FVQ
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BU of 2fvq by Molmil
A Structural Study of the CA Dinucleotide Step in the Integrase Processing Site of Moloney Murine Leukemia Virus
分子名称: 5'-D(*CP*TP*TP*TP*CP*AP*TP*TP*AP*AP*TP*GP*AP*AP*AP*G)-3', reverse transcriptase
著者Montano, S.P, Cote, M.L, Roth, M.J, Georgiadis, M.M.
登録日2006-01-31
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of oligonucleotides including the integrase processing site of the Moloney murine leukemia virus.
Nucleic Acids Res., 34, 2006
2FVP
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BU of 2fvp by Molmil
A Structural Study of the CA Dinucleotide Step in the Integrase Processing Site of Moloney Murine Leukemia Virus
分子名称: 5'-D(*TP*TP*TP*CP*AP*TP*TP*GP*CP*AP*AP*TP*GP*AP*AP*A)-3', Reverse transcriptase
著者Montano, S.P, Cote, M.L, Roth, M.J, Georgiadis, M.M.
登録日2006-01-31
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structures of oligonucleotides including the integrase processing site of the Moloney murine leukemia virus.
Nucleic Acids Res., 34, 2006
2FVS
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BU of 2fvs by Molmil
A Structural Study of the CA Dinucleotide Step in the Integrase Processing Site of Moloney Murine Leukemia Virus
分子名称: 5'-D(*CP*AP*CP*AP*AP*TP*GP*AP*TP*CP*AP*TP*TP*GP*TP*G)-3', reverse transcriptase
著者Montano, S.P, Cote, M.L, Roth, M.J, Georgiadis, M.M.
登録日2006-01-31
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structures of oligonucleotides including the integrase processing site of the Moloney murine leukemia virus.
Nucleic Acids Res., 34, 2006
2FVR
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BU of 2fvr by Molmil
A Structural Study of the CA Dinucleotide Step in the Integrase Processing Site of Moloney Murine Leukemia Virus
分子名称: 5'-D(*TP*CP*TP*TP*TP*CP*AP*TP*AP*TP*GP*AP*AP*AP*GP*A)-3', reverse transcriptase
著者Montano, S.P, Cote, M.L, Roth, M.J, Georgiadis, M.M.
登録日2006-01-31
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of oligonucleotides including the integrase processing site of the Moloney murine leukemia virus.
Nucleic Acids Res., 34, 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
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
2OPS
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BU of 2ops by Molmil
Crystal Structure of Y188C 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, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
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 (2.3 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
2OPR
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BU of 2opr by Molmil
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
2OPQ
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BU of 2opq by Molmil
Crystal Structure of L100I 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, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
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 (2.8 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
2OPP
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BU of 2opp by Molmil
Crystal Structure of 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, MAGNESIUM ION, PHOSPHATE ION, ...
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Chan, S.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 (2.55 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
2VG7
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BU of 2vg7 by Molmil
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors
分子名称: O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
著者Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M.
登録日2007-11-08
公開日2007-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
2VG6
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BU of 2vg6 by Molmil
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors
分子名称: O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
著者Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M.
登録日2007-11-08
公開日2007-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
2VG5
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BU of 2vg5 by Molmil
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors
分子名称: O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
著者Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M.
登録日2007-11-08
公開日2007-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
2RF2
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BU of 2rf2 by Molmil
HIV reverse transcriptase in complex with inhibitor 7e (NNRTI)
分子名称: 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)
著者Yan, Y, Prasad, S.
登録日2007-09-27
公開日2008-01-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel indole-3-sulfonamides as potent HIV non-nucleoside reverse transcriptase inhibitors (NNRTIs).
Bioorg.Med.Chem.Lett., 18, 2008
2ZD1
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BU of 2zd1 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with TMC278 (Rilpivirine), A Non-nucleoside RT Inhibitor
分子名称: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ...
著者Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E.
登録日2007-11-16
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3BGR
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BU of 3bgr by Molmil
Crystal structure of K103N/Y181C mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (Rilpivirine), a non-nucleoside RT inhibitor
分子名称: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ...
著者Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E.
登録日2007-11-27
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2ZE2
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BU of 2ze2 by Molmil
Crystal structure of L100I/K103N mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (rilpivirine), a non-nucleoside RT inhibitor
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E.
登録日2007-12-05
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2RKI
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BU of 2rki by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with a triazole derived NNRTI
分子名称: 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole, CHLORIDE ION, GLYCEROL, ...
著者Lansdon, E.B, Kirschberg, T.A.
登録日2007-10-16
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Triazole derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase-structure-activity relationships and crystallographic analysis.
Bioorg.Med.Chem.Lett., 18, 2008
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
3C6U
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BU of 3c6u by Molmil
Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22
分子名称: 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile, 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

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