4HLA

Crystal structure of wild type HIV-1 protease in complex with darunavir

4HLA の概要

• エントリーDOI: 10.2210/pdb4hla/pdb
• 分子名称: Protease, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE (3 entities in total)
• 機能のキーワード: darunavir, protease, hydrolase, gag, gag-pol, tmc114, uic-94017, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human immunodeficiency virus type 1 (BRU ISOLATE) (HIV-1)
• 細胞内の位置: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P03367
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22155.18

構造登録者

Yedidi, R.S.,Garimella, H.,Palmer, I.,Das, D.,Wingfield, P.T.,Ghosh, A.K.,Mitsuya, H. (登録日: 2012-10-16, 公開日: 2013-07-24, 最終更新日: 2024-02-28)

• 主引用文献: Yedidi, R.S.,Maeda, K.,Fyvie, W.S.,Steffey, M.,Davis, D.A.,Palmer, I.,Aoki, M.,Kaufman, J.D.,Stahl, S.J.,Garimella, H.,Das, D.,Wingfield, P.T.,Ghosh, A.K.,Mitsuya, H.; P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety.; Antimicrob.Agents Chemother., 57:4920-4927, 2013; PubMed: 23877703; DOI: 10.1128/AAC.00868-13

実験手法

X-RAY DIFFRACTION (1.95 Å)