6V1M

Structure of NDM-1 bound to QPX7728 at 1.05 A

6V1M の概要

• エントリーDOI: 10.2210/pdb6v1m/pdb
• 分子名称: Metallo-beta-lactamase type 2, ZINC ION, (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, ... (4 entities in total)
• 機能のキーワード: carbapenemase, boronate, inhibitor, beta-lactamase, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Klebsiella pneumoniae
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 24972.48

構造登録者

Pemberton, O.A.,Chen, Y. (登録日: 2019-11-20, 公開日: 2020-03-25, 最終更新日: 2023-10-11)

• 主引用文献: Hecker, S.J.,Reddy, K.R.,Lomovskaya, O.,Griffith, D.C.,Rubio-Aparicio, D.,Nelson, K.,Tsivkovski, R.,Sun, D.,Sabet, M.,Tarazi, Z.,Parkinson, J.,Totrov, M.,Boyer, S.H.,Glinka, T.W.,Pemberton, O.A.,Chen, Y.,Dudley, M.N.; Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.; J.Med.Chem., 63:7491-7507, 2020; PubMed: 32150407; DOI: 10.1021/acs.jmedchem.9b01976

実験手法

X-RAY DIFFRACTION (1.05 Å)