3V4I
 
 | | 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
|
|
2B5J
 | | 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
 | | 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
|
|
1C1B
 | | 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
|
|
1C1C
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-6123 | | 分子名称: | 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | | 著者 | Hopkins, A.L, Ren, J, Tanaka, H, Baba, M, 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
|
|
1C0U
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+50.0934 | | 分子名称: | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER, 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 (2.52 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
|
|
7Z2H
 | | Cryo-EM structure of NNRTI resistant M184I/E138K mutant HIV-1 reverse transcriptase with a DNA aptamer in complex with doravirine | | 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, DNA (38-MER), Reverse transcriptase/ribonuclease H, ... | | 著者 | Singh, A.K, Das, K. | | 登録日 | 2022-02-27 | | 公開日 | 2022-07-20 | | 最終更新日 | 2022-10-12 | | 実験手法 | ELECTRON MICROSCOPY (3.58 Å) | | 主引用文献 | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
1C0T
 | | 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
|
|
7Z2G
 | | Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with doravirine | | 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, DNA (38-MER), Reverse transcriptase/ribonuclease H | | 著者 | Singh, A.K, Das, K. | | 登録日 | 2022-02-26 | | 公開日 | 2022-07-20 | | 最終更新日 | 2022-10-12 | | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | | 主引用文献 | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7Z24
 | | Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer 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, DNA (38-mer), Reverse transcriptase/ribonuclease H | | 著者 | Singh, A.K, Das, K. | | 登録日 | 2022-02-25 | | 公開日 | 2022-07-20 | | 最終更新日 | 2022-08-03 | | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | | 主引用文献 | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7Z2D
 | |
7Z2E
 | |
7Z29
 | | Cryo-EM structure of NNRTI resistant M184I/E138K mutant HIV-1 reverse transcriptase with a DNA aptamer 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, DNA (38-MER), Reverse transcriptase/ribonuclease H, ... | | 著者 | Singh, A.K, Das, K. | | 登録日 | 2022-02-26 | | 公開日 | 2022-07-20 | | 最終更新日 | 2022-08-03 | | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | | 主引用文献 | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
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
|
|
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
|
|
5CYQ
 | |
4O44
 | | 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
|
|
7AII
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR WITH BOUND MANGANESE | | 分子名称: | DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ... | | 著者 | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | | 登録日 | 2020-09-27 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
|
|
6O9E
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA and INDOPY-1 | | 分子名称: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ruiz, F.X, Hoang, A, Das, K, Arnold, E. | | 登録日 | 2019-03-13 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Basis of HIV-1 Inhibition by Nucleotide-Competing Reverse Transcriptase Inhibitor INDOPY-1.
J.Med.Chem., 62, 2019
|
|
4NCG
 | | 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
|
|
7AHX
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR WITH BOUND MANGANESE | | 分子名称: | D-Aspartate Tenofovir, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | | 著者 | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | | 登録日 | 2020-09-25 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
|
|
6OR7
 | | Structure of HIV-1 Reverse Transcriptase (RT) in complex with DNA AND (-)FTC-TP | | 分子名称: | DNA Primer 20-mer, DNA template 27-mer, MAGNESIUM ION, ... | | 著者 | Bertoletti, N, Chan, A.H, Anderson, K.S. | | 登録日 | 2019-04-29 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.53 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
|
|
7AIG
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR | | 分子名称: | DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ... | | 著者 | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | | 登録日 | 2020-09-27 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
|
|
