6OYR

X-ray crystal structure of wild type HIV-1 protease in complex with GRL-002

6OYR の概要

• エントリーDOI: 10.2210/pdb6oyr/pdb
• 分子名称: Protease, (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate (3 entities in total)
• 機能のキーワード: inhibitor, viral protein, viral protein-inhibitor complex, viral protein/inhibitor
• 由来する生物種: Human immunodeficiency virus 1
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 11505.56

構造登録者

Bulut, H.,Hattori, S.I.,Aoki-Ogata, H.,Hayashi, H.,Aoki, M.,Ghosh, A.K.,Mitsuya, H. (登録日: 2019-05-15, 公開日: 2020-05-20, 最終更新日: 2023-10-11)

• 主引用文献: Bulut, H.,Hattori, S.I.,Aoki-Ogata, H.,Hayashi, H.,Das, D.,Aoki, M.,Davis, D.A.,Rao, K.V.,Nyalapatla, P.R.,Ghosh, A.K.,Mitsuya, H.; Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity.; Sci Rep, 10:10664-10664, 2020; PubMed: 32606378; DOI: 10.1038/s41598-020-65993-z

実験手法

X-RAY DIFFRACTION (1.54 Å)