6TWA

Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in publication) in the closed state

6TWA の概要

• エントリーDOI: 10.2210/pdb6twa/pdb
• 分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid, ... (5 entities in total)
• 機能のキーワード: nucleotide analog, en, 5nt, complex, 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: 59886.56

構造登録者

Pippel, J.,Strater, N. (登録日: 2020-01-12, 公開日: 2020-02-19, 最終更新日: 2020-04-08)

• 主引用文献: Bhattarai, S.,Pippel, J.,Scaletti, E.,Idris, R.,Freundlieb, M.,Rolshoven, G.,Renn, C.,Lee, S.Y.,Abdelrahman, A.,Zimmermann, H.,El-Tayeb, A.,Muller, C.E.,Strater, N.; 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.; J.Med.Chem., 63:2941-2957, 2020; PubMed: 32045236; DOI: 10.1021/acs.jmedchem.9b01611

実験手法

X-RAY DIFFRACTION (2 Å)