Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with methyl 2-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acetate (JLJ681), a Non-nucleoside Inhibitor

Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with methyl 2-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acetate (JLJ681), a Non-nucleoside Inhibitor Descriptor: Reverse transcriptase/ribonuclease H, SULFATE ION, methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate, ... 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 (2.72 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）Y181C突变体与甲基2-(6-氰基-3-(2-(2-(2,4-二氧代-3,4-二氢嘧啶-1(2H)-基)乙氧基)苯氧基)-4-甲基萘-1-基)乙酸酯（JLJ681，一种非核苷类抑制剂（Non-nucleoside Inhibitor））形成复合物的晶体结构 描述项：逆转录酶/核糖核酸酶H（ribonuclease H）、硫酸根离子、甲基2-(6-氰基-3-{2-[2-(2,4-二氧代-3,4-二氢嘧啶-1(2H)-基)乙氧基]苯氧基}-4-甲基萘-1-基)乙酸酯，…… 作者：Chan, A.H.、Duong, V.N.、Ippolito, J.A.、Jorgensen, W.L.、Anderson, K.S. 提交日期：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2.72埃（Å） 引用文献：结合野生型与Y181C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（NNRTI）结合位点的关键特征，《Protein Sci.》，第29卷，2020年