PDB: 13422 件ウェブページステータス検索Chemie searchBIRD

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7SNP	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-(2-morpholinoethoxy)phenoxy)phenyl)acrylonitrile (JLJ530) 分子名称: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase p66, p51 RT 著者 Frey, K.M, Anderson, K.S. 登録日 2021-10-28 公開日 2022-03-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
7SO1	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ564) 分子名称: 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile, Reverse transcriptase p66, p51 RT 著者 Frey, K.M, Anderson, K.S. 登録日 2021-10-28 公開日 2022-03-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.727 Å) 主引用文献 Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
7SO3	Crystal Structure of HIV-1 Reverse Transcriptase K103N/Y181C Variant in Complex with (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ564) 分子名称: 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2021-10-29 公開日 2022-03-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.767 Å) 主引用文献 Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
4TWZ	Crystal Structure Analysis of E Coli. RecA Protein 分子名称: MAGNESIUM ION, Protein RecA 著者 Hikima, T, Hiraki, T, Furuse, M, Ikawa, S, Iwasaki, W, Shibata, T, Kamiya, N. 登録日 2014-07-02 公開日 2015-07-08 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Loop L1 governs the DNA-binding specificity and order for RecA-catalyzed reactions in homologous recombination and DNA repair Nucleic Acids Res., 43, 2015
8H77	Hsp90-AhR-p23-XAP2 complex 分子名称: ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ... 著者 Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F. 登録日 2022-10-19 公開日 2023-01-04 最終更新日 2024-07-03 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Cryo-EM structure of the cytosolic AhR complex. Structure, 31, 2023
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
5C25	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 6-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-5,7-dimethyl-2-naphthonitrile (JLJ639), a Non-nucleoside Inhibitor 分子名称: 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... 著者 Chan, A.H, Frey, K.M, Anderson, K.S. 登録日 2015-06-15 公開日 2015-07-29 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.841 Å) 主引用文献 Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 25, 2015
5C24	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-6,8-dimethylindolizine-2-carbonitrile (JLJ605), a non-nucleoside inhibitor 分子名称: 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2015-06-15 公開日 2015-07-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 25, 2015
5C42	Crystal Structure of HIV-1 Reverse Transcriptase (K101P) Variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor 分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, HIV-1 Reverse Transcriptase, p51 subunit, ... 著者 Frey, K.M, Gray, W.T, Anderson, K.S. 登録日 2015-06-17 公開日 2015-11-11 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Potent Inhibitors Active against HIV Reverse Transcriptase with K101P, a Mutation Conferring Rilpivirine Resistance. Acs Med.Chem.Lett., 6, 2015
1BQN	TYR 188 LEU HIV-1 RT/HBY 097 分子名称: (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, REVERSE TRANSCRIPTASE 著者 Hsiou, Y, Das, K, Ding, J, Arnold, E. 登録日 1998-08-17 公開日 1999-01-06 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance. J.Mol.Biol., 284, 1998
1BQM	HIV-1 RT/HBY 097 分子名称: (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, REVERSE TRANSCRIPTASE 著者 Hsiou, Y, Das, K, Ding, J, Arnold, E. 登録日 1998-08-17 公開日 1999-01-06 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance. J.Mol.Biol., 284, 1998
5E04	Crystal structure of Andes virus nucleoprotein 分子名称: Nucleoprotein 著者 Guo, Y, Wang, W.M, Lou, Z.Y. 登録日 2015-09-28 公開日 2015-12-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Crystal Structure of the Core Region of Hantavirus Nucleocapsid Protein Reveals the Mechanism for Ribonucleoprotein Complex Formation J.Virol., 90, 2015
2RKI	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	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	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
3BGR	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
2ZD1	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
2ZE2	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
3KLF	Crystal structure of wild-type HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA 分子名称: DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(2DA))-3'), DNA (5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), GLYCEROL, ... 著者 Tu, X, Das, K, Sarafianos, S.G, Arnold, E. 登録日 2009-11-07 公開日 2010-09-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (3.15 Å) 主引用文献 Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
4H4O	Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with (E)-3-(3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)- 4-fluorophenoxy)-5-fluorophenyl)acrylonitrile (JLJ506), A Non-nucleoside inhibitor 分子名称: (2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, Exoribonuclease H, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2012-09-17 公開日 2012-12-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design. J.Am.Chem.Soc., 134, 2012
3KLE	Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA 分子名称: DNA (25-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*(2DA))-3'), GLYCEROL, ... 著者 Tu, X, Das, K, Sarafianos, S.G, Arnold, E. 登録日 2009-11-07 公開日 2010-09-22 最終更新日 2021-10-13 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
4RW8	Crystal Structure of HIV-1 Reverse Transcriptase in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor' 分子名称: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2014-12-01 公開日 2015-04-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.878 Å) 主引用文献 Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
6OE3	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor 分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... 著者 Bertoletti, N, Kudalkar, S.N, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L. 登録日 2019-03-27 公開日 2019-05-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural and pharmacological evaluation of a novel non-nucleoside reverse transcriptase inhibitor as a promising long acting nanoformulation for treating HIV. Antiviral Res., 167, 2019
4RW4	Crystal Structure of HIV-1 Reverse Transcriptase (K103N,Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor 分子名称: (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2014-12-01 公開日 2015-04-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.674 Å) 主引用文献 Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
4RW6	Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor 分子名称: (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... 著者 Frey, K.M, Anderson, K.S. 登録日 2014-12-01 公開日 2015-04-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.631 Å) 主引用文献 Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015

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