4LEN

CTX-M-9 in complex with the broad spectrum inhibitor 3-(2- carboxyvinyl)benzo(b)thiophene-2-boronic acid

4LEN の概要

• エントリーDOI: 10.2210/pdb4len/pdb
• 分子名称: Beta-lactamase, (2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid (3 entities in total)
• 機能のキーワード: binding sites, structure base drug design, drug discovery, molecular, enzyme inhibitors, beta lactamases, boronic acids, broad spectrum, bacterial resistance, double perturbation cycle analysis, thermodynamics, structure activity relationship, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Escherichia coli
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 56441.11

構造登録者

Tondi, D. (登録日: 2013-06-26, 公開日: 2014-06-18, 最終更新日: 2023-09-20)

• 主引用文献: Tondi, D.,Venturelli, A.,Bonnet, R.,Pozzi, C.,Shoichet, B.K.,Costi, M.P.; Targeting Class A and C Serine beta-Lactamases with a Broad-Spectrum Boronic Acid Derivative.; J.Med.Chem., 57:5449-5458, 2014; PubMed: 24882105; DOI: 10.1021/jm5006572

実験手法

X-RAY DIFFRACTION (1.5 Å)