6UQS

Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors

6UQS の概要

• エントリーDOI: 10.2210/pdb6uqs/pdb
• 分子名称: Beta-lactamase, 2-hydroxyethyl hydrogen phenylboronate, CHLORIDE ION, ... (4 entities in total)
• 機能のキーワード: boronic acid inhibitors, drug resistance, antibiotic
• 由来する生物種: Pseudomonas aeruginosa
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 41225.75

構造登録者

Scapin, G. (登録日: 2019-10-21, 公開日: 2019-10-30, 最終更新日: 2024-10-23)

主引用文献

Yang, S.W.,Pan, J.,Root, Y.,Scapin, G.,Xiao, L.,Su, J.
Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30:126795-126795, 2020

PubMed Abstract: High throughput screening for β-lactamase inhibitors afforded biphenyl hits such as 1. Hit confirmation and X-ray soaking experiments with Pseudomonas Aeruginosa AmpC enzyme led to the identification of an aryl boronic acid-serine complex 4, which was formed from phenyl boronic acid 8 (an impurity in compound 1) and ethylene glycol (the cryoprotectant in the soaking experiment).

PubMed: 31759850
DOI: 10.1016/j.bmcl.2019.126795

実験手法

X-RAY DIFFRACTION (1.37 Å)