8U6B
 
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)acrylamide (JLJ731), a non-nucleoside inhibitor | | 分子名称: | N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Hollander, K, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6P
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N,N-dimethylpropanamide (JLJ754), a non-nucleoside inhibitor | | 分子名称: | 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6A
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (JLJ729), a non-nucleoside inhibitor | | 分子名称: | N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6Q
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(3-oxo-3-(pyrrolidin-1-yl)propoxy)phenoxy)indolizine-2-carbonitrile (JLJ755), a non-nucleoside inhibitor | | 分子名称: | (4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6O
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with5-(2-(3-oxo-3-(pyrrolidin-1-yl)propoxy)phenoxy)-2-naphthonitrile (JLJ753), a non-nucleoside inhibitor | | 分子名称: | 5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6E
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)-N-methylacrylamide (JLJ738), a non-nucleoside inhibitor | | 分子名称: | MAGNESIUM ION, N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, ... | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U69
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-chloro-5-(4-chloro-2-(2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)benzonitrile (JLJ334), a non-nucleoside inhibitor | | 分子名称: | 3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6N
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((6-cyanonaphthalen-1-yl)oxy)phenoxy)-N,N-dimethylpropanamide (JLJ752), a non-nucleoside inhibitor | | 分子名称: | 3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide, Gag-Pol polyprotein, p51 RT | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6I
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ745), a non-nucleoside inhibitor | | 分子名称: | MAGNESIUM ION, N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide, Reverse transcriptase/ribonuclease H, ... | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6J
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(5-chloro-2-((2-cyanoindolizin-8-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ746), a non-nucleoside inhibitor | | 分子名称: | MAGNESIUM ION, N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide, Reverse transcriptase/ribonuclease H, ... | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6L
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(5-chloro-2-((6-cyanonaphthalen-1-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ748), a non-nucleoside inhibitor | | 分子名称: | MAGNESIUM ION, N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, ... | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.486 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6M
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(2-((6-chloro-2-cyanoindolizin-8-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ751), a non-nucleoside inhibitor | | 分子名称: | N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6D
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy)ethyl)-N-methylacrylamide (JLJ736), a non-nucleoside inhibitor | | 分子名称: | N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6S
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(3-morpholino-3-oxopropoxy)phenoxy)indolizine-2-carbonitrile (JLJ757), a non-nucleoside inhibitor | | 分子名称: | (4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6F
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy)ethyl)-N-methylacrylamide (JLJ742), a non-nucleoside inhibitor | | 分子名称: | N-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Prucha, G, Carter, Z, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6C
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 2-chloro-N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)acetamide (JLJ732), a non-nucleoside inhibitor | | 分子名称: | 2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Hollander, K, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6T
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(3-acryloyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ758), a non-nucleoside inhibitor | | 分子名称: | 5-(2-{2-[2-oxo-3-(prop-2-enoyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethoxy}phenoxy)naphthalene-2-carbonitrile, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6R
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N-(2,2-difluoroethyl)propanamide (JLJ756), a non-nucleoside inhibitor | | 分子名称: | 3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6K
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(2-((6-cyanonaphthalen-1-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ747), a non-nucleoside inhibitor | | 分子名称: | MAGNESIUM ION, N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide, PHOSPHATE ION, ... | | 著者 | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6H
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-(2-(3-acryloyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethoxy)-4-chlorophenoxy)-5-chlorobenzonitrile (JLJ744), a non-nucleoside inhibitor | | 分子名称: | 3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Prucha, G, Carter, Z, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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4H4M
 | | Crystal Structure of HIV-1 Reverse Transcriptase 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, 1,2-ETHANEDIOL, Reverse transcriptase/ribonuclease 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 (2.85 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
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5FDL
 | | Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899 | | 分子名称: | P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate | | 著者 | Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M. | | 登録日 | 2015-12-16 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
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4DG1
 | | Crystal structure of HIV-1 reverse transcriptase (RT) with polymorphism mutation K172A and K173A | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Tu, X, Kirby, K.A, Marchand, B, Sarafianos, S.G. | | 登録日 | 2012-01-24 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | HIV-1 Reverse Transcriptase (RT) Polymorphism 172K Suppresses the Effect of Clinically Relevant Drug Resistance Mutations to Both Nucleoside and Non-nucleoside RT Inhibitors.
J.Biol.Chem., 287, 2012
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3FFI
 | | HIV-1 RT with pyridone non-nucleoside inhibitor | | 分子名称: | 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile, RT p51, Reverse transcriptase/ribonuclease H | | 著者 | Harris, S.F, Villasenor, A. | | 登録日 | 2008-12-03 | | 公開日 | 2009-12-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Pyridone Diaryl Ether Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase
To be Published
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3DI6
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