7ZI8

Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0602 inhibitor

Summary for 7ZI8

• Entry DOI: 10.2210/pdb7zi8/pdb
• Descriptor: Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE, 2-[2-[[2-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, ... (5 entities in total)
• Functional Keywords: inhibitor, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 33672.51

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; PubMed: 37248212; DOI: 10.1038/s41467-023-38668-2

Experimental method

X-RAY DIFFRACTION (1.99 Å)