7S18

Crystal structure of cruzain with gallinamide analog from 2-biaryl series

7S18 の概要

• エントリーDOI: 10.2210/pdb7s18/pdb
• 関連するBIRD辞書のPRD_ID: PRD_002486
• 分子名称: Cruzipain, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide (3 entities in total)
• 機能のキーワード: cysteine protease, cruzain, gallinamide, hydrolase
• 由来する生物種: Trypanosoma cruzi
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 23537.22

構造登録者

Sharma, V.,Podust, L.M. (登録日: 2021-09-01, 公開日: 2022-03-02, 最終更新日: 2023-10-18)

• 主引用文献: Barbosa Da Silva, E.,Sharma, V.,Hernandez-Alvarez, L.,Tang, A.H.,Stoye, A.,O'Donoghue, A.J.,Gerwick, W.H.,Payne, R.J.,McKerrow, J.H.,Podust, L.M.; Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi .; J.Med.Chem., 65:4255-4269, 2022; PubMed: 35188371; DOI: 10.1021/acs.jmedchem.1c02063

実験手法

X-RAY DIFFRACTION (2.14 Å)