4COE

Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol

4COE の概要

• エントリーDOI: 10.2210/pdb4coe/pdb
• 関連するPDBエントリー: 4CP7
• 分子名称: PROTEASE, CHLORIDE ION, methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate, ... (4 entities in total)
• 機能のキーワード: hydrolase, inhibitor, rational drug design, enzyme
• 由来する生物種: HUMAN IMMUNODEFICIENCY VIRUS
• 細胞内の位置: Gag-Pol polyprotein: Host cell membrane; Lipid-anchor. Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P03366
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22411.65

構造登録者

DeRosa, M.,Unge, J.,Motwani, H.V.,Rosenquist, A.,Vrang, L.,Wallberg, H.,Larhed, M. (登録日: 2014-01-28, 公開日: 2014-12-10, 最終更新日: 2024-05-01)

• 主引用文献: De Rosa, M.,Unge, J.,Motwani, H.V.,Rosenquist, A.,Vrang, L.,Wallberg, H.,Larhed, M.; Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.; J.Med.Chem., 57:6444-, 2014; PubMed: 25054811; DOI: 10.1021/JM500434Q

実験手法

X-RAY DIFFRACTION (2.45 Å)