6UL5

Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor

6UL5 の概要

• エントリーDOI: 10.2210/pdb6ul5/pdb
• 分子名称: Reverse transcriptase p66, Reverse transcriptase p51, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, ... (7 entities in total)
• 機能のキーワード: human immunodeficiency virus 1, non nucleotide-reverse transcriptase inhibitor, transferase
• 由来する生物種: Human immunodeficiency virus type 1 (HIV-1); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 115596.41

構造登録者

Ruiz, F.X.,Pilch, A.,Arnold, E. (登録日: 2019-10-06, 公開日: 2020-02-05, 最終更新日: 2023-10-11)

• 主引用文献: Kang, D.,Ruiz, F.X.,Feng, D.,Pilch, A.,Zhao, T.,Wei, F.,Wang, Z.,Sun, Y.,Fang, Z.,De Clercq, E.,Pannecouque, C.,Arnold, E.,Liu, X.,Zhan, P.; Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.; J.Med.Chem., 63:1298-1312, 2020; PubMed: 31935327; DOI: 10.1021/acs.jmedchem.9b01769

実験手法

X-RAY DIFFRACTION (2.23 Å)