X-ray crystal structure of wild type HIV-1 protease in complex with GRL-08613

X-ray crystal structure of wild type HIV-1 protease in complex with GRL-08613 Descriptor: (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease Authors: Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H. Deposit date: 2019-11-05 Release date: 2020-11-18 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Fluorine Modifications Contribute to Potent Antiviral Activity against Highly Drug-Resistant HIV-1 and Favorable Blood-Brain Barrier Penetration Property of Novel Central Nervous System-Targeting HIV-1 Protease Inhibitors In Vitro. Antimicrob.Agents Chemother., 66, 2022野生型HIV-1蛋白酶（HIV-1 protease）与GRL-08613结合的X射线晶体结构 配体描述：(3aS,4S,7aR)-六氢-4H-呋喃并[2,3-b]吡喃-4基 {(2S,3R)-1-(4-氟苯基)-3-羟基-4-[(2-甲基丙基)({2-[(异丙基)氨基]-1,3-苯并噻唑-6-基}磺酰基)氨基]丁-2-基}氨基甲酸酯 研究靶标：蛋白酶 作者：Yedidi, R.S.、Hayashi, H.、Ghosh, A.K.、Mitsuya, H. 沉积日期：2019-11-05 发布日期：2020-11-18 最后修改日期：2023-10-11 实验方法：X射线衍射（分辨率1.95 Å） 引用文献：《氟修饰可增强新型中枢神经系统靶向HIV-1蛋白酶抑制剂针对高度耐药HIV-1的强效抗病毒活性及优良血脑屏障穿透特性（体外研究）》，刊载于《抗微生物制剂与化疗》（Antimicrob. Agents Chemother.），2022年，第66卷