Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI)

Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI) Descriptor: 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H Authors: Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D. Deposit date: 2011-05-28 Release date: 2011-08-17 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors. J.Med.Chem., 54, 2011

本数据集收录HIV-1逆转录酶（Reverse Transcriptase, RT）与二氟甲基苯并恶唑（Difluoromethylbenzoxazole, DFMB）嘧啶硫醚衍生物的复合物晶体结构，该衍生物属于非核苷类逆转录酶抑制剂（non-nucleoside RT inhibitor, NNRTI）。复合物组分描述：2-[二氟-[(4-甲基-嘧啶基)-硫]甲基]-苯并恶唑、钙离子、逆转录酶/核糖核酸酶H。作者：Boyer J、Arnoult E、Medebielle M、Guillemont J、Unge T、Unge J、Jochmans D。存入日期：2011-05-28；发布日期：2011-08-17；最后修改日期：2024-05-01。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.9 Å。引用文献：《二氟甲基苯并恶唑嘧啶硫醚衍生物：一类新型强效非核苷类HIV-1逆转录酶抑制剂》，发表于《J. Med. Chem.》2011年，第54卷。