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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)

Summary for 7QGO
Entry DOI10.2210/pdb7qgo/pdb
Descriptor5'-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)
Functional Keywordsen, e5nt, ecto-nucleotidase, inhibitor, hydrolase
Biological sourceHomo sapiens (human)
Total number of polymer chains1
Total formula weight60442.02
Authors
Strater, N. (deposition date: 2021-12-09, release date: 2022-02-16, Last modification date: 2024-01-31)
Primary citationScortichini, 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 (2.206 Å)
Structure validation

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