8R5T

Crystal structure of NDM-1 in complex with benzobisheterocycle compound 14.

8R5T の概要

• エントリーDOI: 10.2210/pdb8r5t/pdb
• 分子名称: Metallo-beta-lactamase type 2, [(1~{R},3~{a}~{R})-1,3,3~{a},4-tetrahydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl]methanethiol, ZINC ION, ... (5 entities in total)
• 機能のキーワード: metallo-beta-lactamase, inhibitor, antimicrobial protein
• 由来する生物種: Klebsiella pneumoniae
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 52230.01

構造登録者

Hinchliffe, P.,Spencer, J. (登録日: 2023-11-17, 公開日: 2024-04-10)

• 主引用文献: Villamil, V.,Rossi, M.A.,Mojica, M.F.,Hinchliffe, P.,Martinez, V.,Castillo, V.,Saiz, C.,Banchio, C.,Macias, M.A.,Spencer, J.,Bonomo, R.A.,Vila, A.,Moreno, D.M.,Mahler, G.; Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.; J.Med.Chem., 67:3795-3812, 2024; PubMed: 38373290; DOI: 10.1021/acs.jmedchem.3c02209

実験手法

X-RAY DIFFRACTION (1.58 Å)