Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(cyclopropylmethyl)-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ678), a Non-nucleoside Inhibitor

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(cyclopropylmethyl)-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ678), a Non-nucleoside Inhibitor Descriptor: 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ... Authors: Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. Deposit date: 2020-05-22 Release date: 2020-07-22 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci., 29, 2020

HIV-1逆转录酶（HIV-1 Reverse Transcriptase）与5-(环丙基甲基)-7-(2-(2-(2,4-二氧代-3,4-二氢嘧啶-1(2H)-基)乙氧基)苯氧基)-8-甲基-2-萘甲腈（JLJ678，一种非核苷类抑制剂）的晶体结构
复合物组成表征：5-(环丙基甲基)-7-{2-[2-(2,4-二氧代-3,4-二氢嘧啶-1(2H)-基)乙氧基]苯氧基}-8-甲基萘-2-甲腈、逆转录酶/核糖核酸酶H（ribonuclease H）、硫酸根离子（SULFATE ION）等
作者：Chan, A.H.、Duong, V.N.、Ippolito, J.A.、Jorgensen, W.L.、Anderson, K.S.
存档日期：2020-05-22；发布日期：2020-07-22；最后修改日期：2023-10-18
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.65埃（Å）
引用文献：结合野生型与Y181C突变型逆转录酶的2-萘基苯基醚类抑制剂的结构研究揭示了非核苷类逆转录酶抑制剂结合位点的关键特征，《Protein Science》，第29卷，2020年。