7K41

Bacterial O-GlcNAcase (OGA) with compound

7K41 の概要

• エントリーDOI: 10.2210/pdb7k41/pdb
• 分子名称: O-GlcNAcase BT_4395, ACETATE ION, 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine, ... (5 entities in total)
• 機能のキーワード: oga, virtual screening, structure based drug design, sbdd, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Escherichia coli K-12
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 83552.48

構造登録者

Lane, W.,Tjhen, R.,Snell, G.,Sang, B. (登録日: 2020-09-14, 公開日: 2021-01-13, 最終更新日: 2023-10-18)

• 主引用文献: Tawada, M.,Fushimi, M.,Masuda, K.,Sun, H.,Uchiyama, N.,Kosugi, Y.,Lane, W.,Tjhen, R.,Endo, S.,Koike, T.; Discovery of a Novel and Brain-Penetrant O -GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization.; J.Med.Chem., 64:1103-1115, 2021; PubMed: 33404239; DOI: 10.1021/acs.jmedchem.0c01712

実験手法

X-RAY DIFFRACTION (2 Å)