7ZI7

Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0345 inhibitor

Summary for 7ZI7

Entry DOI	10.2210/pdb7zi7/pdb
Descriptor	Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE, 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-N-propyl-1,3-thiazol-2-amine, ... (5 entities in total)
Functional Keywords	inhibitor, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	33656.50
Authors	Saez-Ayala, M.,Ben-Yaala, K.,Betzi, S.,Rebuffet, E.,Morelli, X. (deposition date: 2022-04-07, release date: 2023-06-07, Last modification date: 2024-02-07)
Primary citation	Saez-Ayala, M.,Hoffer, L.,Abel, S.,Ben Yaala, K.,Sicard, B.,Andrieu, G.P.,Latiri, M.,Davison, E.K.,Ciufolini, M.A.,Bremond, P.,Rebuffet, E.,Roche, P.,Derviaux, C.,Voisset, E.,Montersino, C.,Castellano, R.,Collette, Y.,Asnafi, V.,Betzi, S.,Dubreuil, P.,Combes, S.,Morelli, X. From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14:3079-3079, 2023 Cited by PubMed: 37248212 DOI: 10.1038/s41467-023-38668-2 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation