7QGO

Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III)

7QGO の概要

• エントリーDOI: 10.2210/pdb7qgo/pdb
• 分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid, ... (4 entities in total)
• 機能のキーワード: en, e5nt, ecto-nucleotidase, inhibitor, 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: 60442.02

構造登録者

Strater, N. (登録日: 2021-12-09, 公開日: 2022-02-16, 最終更新日: 2024-10-09)

• 主引用文献: Scortichini, M.,Idris, R.M.,Moschutz, S.,Keim, A.,Salmaso, V.,Dobelmann, C.,Oliva, P.,Losenkova, K.,Irjala, H.,Vaittinen, S.,Sandholm, J.,Yegutkin, G.G.,Strater, N.,Junker, A.,Muller, C.E.,Jacobson, K.A.; Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.; J.Med.Chem., 65:2409-2433, 2022; PubMed: 35080883; DOI: 10.1021/acs.jmedchem.1c01852

実験手法

X-RAY DIFFRACTION (2.206 Å)