6YXI

Structure of Notum in complex with a 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid inhibitor

6YXI の概要

• エントリーDOI: 10.2210/pdb6yxi/pdb
• 分子名称: Palmitoleoyl-protein carboxylesterase NOTUM, 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (7 entities in total)
• 機能のキーワード: inhibitor, complex, wnt pathway, hydrolase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 44912.76

構造登録者

Vecchia, L.,Jones, E.Y.,Ruza, R.R.,Hillier, J.,Zhao, Y. (登録日: 2020-05-01, 公開日: 2020-08-19, 最終更新日: 2024-01-24)

• 主引用文献: Mahy, W.,Patel, M.,Steadman, D.,Woodward, H.L.,Atkinson, B.N.,Svensson, F.,Willis, N.J.,Flint, A.,Papatheodorou, D.,Zhao, Y.,Vecchia, L.,Ruza, R.R.,Hillier, J.,Frew, S.,Monaghan, A.,Costa, A.,Bictash, M.,Walter, M.W.,Jones, E.Y.,Fish, P.V.; Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.; J.Med.Chem., 63:9464-9483, 2020; PubMed: 32787107; DOI: 10.1021/acs.jmedchem.0c00660

実験手法

X-RAY DIFFRACTION (1.34 Å)