2VVT

Glutamate Racemase (MurI) from E. faecalis in complex with a 9-Benzyl Purine inhibitor

2VVT の概要

• エントリーDOI: 10.2210/pdb2vvt/pdb
• 関連するPDBエントリー: 2JFO 2JFP
• 分子名称: GLUTAMATE RACEMASE, 2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine, D-GLUTAMIC ACID, ... (4 entities in total)
• 機能のキーワード: isomerase, glutamate racemase, peptidoglycan synthesis, cell wall biogenesis/degradation, cell shape, benzyl purine, muri inhibitor
• 由来する生物種: ENTEROCOCCUS FAECALIS
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 63683.73

構造登録者

Geng, B.,Breault, G.,Comita-Prevoir, J.,Petrichko, R.,Eyermann, C.,Lundqvist, T.,Doig, P.,Gorseth, E.,Noonan, B. (登録日: 2008-06-11, 公開日: 2008-06-24, 最終更新日: 2023-12-13)

主引用文献

Geng, B.,Breault, G.,Comita-Prevoir, J.,Petrichko, R.,Eyermann, C.,Lundqvist, T.,Doig, P.,Gorseth, E.,Noonan, B.
Exploring 9-Benzyl Purines as Inhibitors of Glutamate Racemase (Muri) in Gram-Positive Bacteria.
Bioorg.Med.Chem.Lett., 18:4368-, 2008

PubMed Abstract: An early SAR study of a screening hit series has generated a series of 9-benzyl purines as inhibitors of bacterial glutamate racemase (MurI) with micromolar enzyme potency and improved physical properties. X-ray co-crystal EI structures were obtained.

PubMed: 18614367
DOI: 10.1016/J.BMCL.2008.06.068

実験手法

X-RAY DIFFRACTION (1.65 Å)