7QGA

Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state

Summary for 7QGA

Entry DOI	10.2210/pdb7qga/pdb
Descriptor	5'-nucleotidase, ZINC ION, CALCIUM ION, ... (6 entities in total)
Functional Keywords	en, e5nt, ecto-nucleotidase, inhibitor, hydrolase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	61478.46
Authors	Strater, N. (deposition date: 2021-12-07, release date: 2022-02-16, Last modification date: 2024-01-31)
Primary citation	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 Cited by PubMed: 35080883 DOI: 10.1021/acs.jmedchem.1c01852 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation