6L3X

Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo

6L3X の概要

• エントリーDOI: 10.2210/pdb6l3x/pdb
• 分子名称: ATP-dependent Clp protease proteolytic subunit, [(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid (3 entities in total)
• 機能のキーワード: s. aureus, caseinolytic protease p, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Staphylococcus aureus RF122
• タンパク質・核酸の鎖数: 14
• 化学式量合計: 279501.03

構造登録者

Luo, Y.F.,Bao, R.,Ju, Y.,He, L.H. (登録日: 2019-10-15, 公開日: 2020-08-26, 最終更新日: 2023-11-22)

• 主引用文献: Ju, Y.,He, L.,Zhou, Y.,Yang, T.,Sun, K.,Song, R.,Yang, Y.,Li, C.,Sang, Z.,Bao, R.,Luo, Y.; Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockersin Vitroandin Vivo.; J.Med.Chem., 63:3104-3119, 2020; PubMed: 32031798; DOI: 10.1021/acs.jmedchem.9b01746

実験手法

X-RAY DIFFRACTION (2.3054 Å)