6XUE

Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed form in crystal form IV

Summary for 6XUE

Entry DOI	10.2210/pdb6xue/pdb
Descriptor	5'-nucleotidase, ZINC ION, CALCIUM ION, ... (6 entities in total)
Functional Keywords	non-nucleotide inhibitor, hydrolase, arcus biosciences
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	120322.45
Authors	Strater, N. (deposition date: 2020-01-19, release date: 2020-04-22, Last modification date: 2024-01-24)
Primary citation	Beatty, J.W.,Lindsey, E.A.,Thomas-Tran, R.,Debien, L.,Mandal, D.,Jeffrey, J.L.,Tran, A.T.,Fournier, J.,Jacob, S.D.,Yan, X.,Drew, S.L.,Ginn, E.,Chen, A.,Pham, A.T.,Zhao, S.,Jin, L.,Young, S.W.,Walker, N.P.,Leleti, M.R.,Moschutz, S.,Strater, N.,Powers, J.P.,Lawson, K.V. Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73. J.Med.Chem., 63:3935-3955, 2020 Cited by PubMed: 32212732 DOI: 10.1021/acs.jmedchem.9b01713 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.94 Å)

Structure validation