2W4I

Crystal structure of Helicobacter pylori glutamate racemase in complex with D-Glutamate and an inhibitor

2W4I の概要

• エントリーDOI: 10.2210/pdb2w4i/pdb
• 関連するPDBエントリー: 2JFX 2JFY 2JFZ
• 分子名称: GLUTAMATE RACEMASE, D-GLUTAMIC ACID, 1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL, ... (4 entities in total)
• 機能のキーワード: isomerase, cell shape, glutamate racemase, cell wall biogenesis/degradation, peptidoglycan synthesis, peptidoglycan biosynthesis
• 由来する生物種: HELICOBACTER PYLORI
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 115464.23

構造登録者

Lundqvist, T. (登録日: 2008-11-25, 公開日: 2008-12-09, 最終更新日: 2023-12-13)

主引用文献

Geng, B.,Basarab, G.,Comita-Prevoir, J.,Gowravaram, M.,Hill, P.,Kiely, A.,Loch, J.,MacPherson, L.,Morningstar, M.,Mullen, G.,Osimboni, E.,Satz, A.,Eyermann, C.,Lundqvist, T.
Potent and selective inhibitors of Helicobacter pylori glutamate racemase (MurI): pyridodiazepine amines.
Bioorg. Med. Chem. Lett., 19:930-936, 2009

PubMed Abstract: An SAR study of an HTS screening hit generated a series of pyridodiazepine amines as potent inhibitors of Helicobacter pylori glutamate racemase (MurI) showing highly selective anti-H. pylori activity, marked improved solubility, and reduced plasma protein binding. X-ray co-crystal E-I structures were obtained. These uncompetitive inhibitors bind at the MurI dimer interface.

PubMed: 19097892
DOI: 10.1016/j.bmcl.2008.11.113

実験手法

X-RAY DIFFRACTION (1.87 Å)