4PUO
 
 | | 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
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4KFB
 | | HIV-1 reverse transcriptase with bound fragment at NNRTI adjacent site | | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, P51 RT, ... | | 著者 | Bauman, J.D, Patel, D, Arnold, E. | | 登録日 | 2013-04-26 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.854 Å) | | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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4KO0
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH an anilinylpyrimidine derivative (JLJ-135) | | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile, HIV-1 reverse transcriptase, ... | | 著者 | Das, K, Bauman, J.D, Arnold, E. | | 登録日 | 2013-05-10 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility.
Bioorg.Med.Chem.Lett., 23, 2013
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4LSN
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ518), a non-nucleoside inhibitor | | 分子名称: | (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, HIV-1 reverse transcriptase, p51 subunit, ... | | 著者 | Gray, W.T, Frey, K.M, Anderson, K.S. | | 登録日 | 2013-07-22 | | 公開日 | 2013-12-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase.
Chem.Biol.Drug Des., 83, 2014
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4LSL
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ476), a non-nucleoside inhibitor | | 分子名称: | (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, HIV-1 reverse transcriptase, p51 subunit, ... | | 著者 | Frey, K.M, Anderson, K.S. | | 登録日 | 2013-07-22 | | 公開日 | 2013-12-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase.
Chem.Biol.Drug Des., 83, 2014
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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
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4R5P
 | | 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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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
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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
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3LAK
 | | Crystal structure of HIV-1 reverse transcriptase in complex with N1-heterocycle pyrimidinedione non-nucleoside inhibitor | | 分子名称: | 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile, CHLORIDE ION, HIV Reverse transcriptase, ... | | 著者 | Lansdon, E.B, Mitchell, M.L. | | 登録日 | 2010-01-06 | | 公開日 | 2010-02-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | N1-Heterocyclic pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
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3LAM
 | | Crystal structure of HIV-1 reverse transcriptase in complex with N1-propyl pyrimidinedione non-nucleoside inhibitor | | 分子名称: | 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile, HIV Reverse transcriptase, SULFATE ION | | 著者 | Lansdon, E.B, Mitchell, M.L. | | 登録日 | 2010-01-06 | | 公開日 | 2010-02-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
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7LMB
 | | Tetrahymena telomerase T5D5 structure at 3.8 Angstrom | | 分子名称: | Telomerase La-related protein p65, Telomerase RNA, Telomerase associated protein p50, ... | | 著者 | He, Y, Wang, Y, Liu, B, Helmling, C, Susac, L, Cheng, R, Zhou, Z.H, Feigon, J. | | 登録日 | 2021-02-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structures of telomerase at several steps of telomere repeat synthesis.
Nature, 593, 2021
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7LMA
 | | Tetrahymena telomerase T3D2 structure at 3.3 Angstrom | | 分子名称: | Telomerase La-related protein p65, Telomerase RNA, Telomerase associated protein p50, ... | | 著者 | He, Y, Wang, Y, Liu, B, Helmling, C, Susac, L, Cheng, R, Zhou, Z.H, Feigon, J. | | 登録日 | 2021-02-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structures of telomerase at several steps of telomere repeat synthesis.
Nature, 593, 2021
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3LAN
 | | Crystal structure of HIV-1 reverse transcriptase in complex with N1-butyl pyrimidinedione non-nucleoside inhibitor | | 分子名称: | 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION | | 著者 | Lansdon, E.B, Mitchell, M.L. | | 登録日 | 2010-01-06 | | 公開日 | 2010-02-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
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7LQU
 | | Crystal Structure of HIV-1 RT in Complex with NBD-14075 | | 分子名称: | Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ... | | 著者 | Losada, N, Ruiz, F.X, Gruber, K, Das, K, Arnold, E. | | 登録日 | 2021-02-15 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
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7LPX
 | | Crystal Structure of HIV-1 RT in Complex with NBD-14270 | | 分子名称: | Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ... | | 著者 | Losada, N, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-12 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
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7LPW
 | | Crystal Structure of HIV-1 RT in Complex with NBD-14189 | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase p51, ... | | 著者 | Losada, N, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-12 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
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3LP2
 | | HIV-1 reverse transcriptase with inhibitor | | 分子名称: | 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P. | | 登録日 | 2010-02-04 | | 公開日 | 2010-06-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
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3LP1
 | | HIV-1 reverse transcriptase with inhibitor | | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1H)-one, MANGANESE (II) ION, ... | | 著者 | Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P. | | 登録日 | 2010-02-04 | | 公開日 | 2010-06-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
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7LRI
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA, dTTP, and CA(2+) ion | | 分子名称: | CALCIUM ION, DNA/RNA (38-MER), GLYCEROL, ... | | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-16 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
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7LRX
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dCTP, and CA(2+) ion | | 分子名称: | 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one, AMMONIUM ION, CALCIUM ION, ... | | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-17 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
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7LRY
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA, (-)FTC-TP, and CA(2+) ion | | 分子名称: | AMMONIUM ION, CALCIUM ION, DNA/RNA (38-MER), ... | | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-17 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
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7LRM
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA, dCTP, and CA(2+) ion | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA/RNA (38-MER), ... | | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-16 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
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7LSK
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dTTP, and CA(2+) ion | | 分子名称: | 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, AMMONIUM ION, CALCIUM ION, ... | | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-18 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
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7OUT
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-264 | | 分子名称: | (S)-2-(3-(6-amino-9H-purin-9-yl)propoxy)-3-phosphonopropanoic acid, 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'), ... | | 著者 | Martinez, S.E, Singh, A.K, Gu, W, Das, K. | | 登録日 | 2021-06-13 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
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