5OHI

Crystal structure of autotaxin in complex with BI-2545

5OHI の概要

• エントリーDOI: 10.2210/pdb5ohi/pdb
• 分子名称: Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, [3,5-bis(trifluoromethyl)phenyl]methyl (1~{S},5~{R})-6-[(1~{H}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (11 entities in total)
• 機能のキーワード: phospholipase, hydrolase-hydrolase inhibitor complex, hydrolase
• 由来する生物種: Mus musculus (House Mouse)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 98683.33

構造登録者

Hoerer, S. (登録日: 2017-07-17, 公開日: 2018-01-03, 最終更新日: 2024-01-17)

• 主引用文献: Kuttruff, C.A.,Ferrara, M.,Bretschneider, T.,Hoerer, S.,Handschuh, S.,Nosse, B.,Romig, H.,Nicklin, P.,Roth, G.J.; Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.; ACS Med Chem Lett, 8:1252-1257, 2017; PubMed: 29259743; DOI: 10.1021/acsmedchemlett.7b00312

実験手法

X-RAY DIFFRACTION (1.66 Å)