8FUJ

HIV-1 wild type protease with GRL-03419A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group and 3,5-difluorophenylmethyl as the P1 group

8FUJ の概要

• エントリーDOI: 10.2210/pdb8fuj/pdb
• 関連するPDBエントリー: 2IEN 4ZIP 5UOV 5UPZ 6DV0 6DV4 8FUI
• 分子名称: Protease, SODIUM ION, CHLORIDE ION, ... (7 entities in total)
• 機能のキーワード: aspartic acid protease, hiv-1 protease, inhibitors, pyridylpyrimidine, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Human immunodeficiency virus 1
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22561.12

構造登録者

Wang, Y.-F.,Agniswamy, J.,Ghosh, A.K.,Weber, I.T. (登録日: 2023-01-17, 公開日: 2023-05-24, 最終更新日: 2024-05-22)

• 主引用文献: Ghosh, A.K.,Mishevich, J.L.,Kovela, S.,Shaktah, R.,Ghosh, A.K.,Johnson, M.,Wang, Y.F.,Wong-Sam, A.,Agniswamy, J.,Amano, M.,Takamatsu, Y.,Hattori, S.I.,Weber, I.T.,Mitsuya, H.; Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation.; Eur.J.Med.Chem., 255:115385-115385, 2023; PubMed: 37150084; DOI: 10.1016/j.ejmech.2023.115385

実験手法

X-RAY DIFFRACTION (1.12 Å)