4Q1A
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 6 {2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol}
Summary for 4Q1A
Entry DOI | 10.2210/pdb4q1a/pdb |
Related | 4Q18 4Q19 4Q1B 4Q1C 4Q1D 4Q1E 4Q1F |
Descriptor | Deoxycytidine kinase, 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol, URIDINE-5'-DIPHOSPHATE, ... (4 entities in total) |
Functional Keywords | phosphoryl transfer, phosphorylation, deoxycytidine, transferase, inhibitor complex, kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Nucleus : P27707 |
Total number of polymer chains | 2 |
Total formula weight | 67106.72 |
Authors | |
Primary citation | Nomme, J.,Li, Z.,Gipson, R.M.,Wang, J.,Armijo, A.L.,Le, T.,Poddar, S.,Smith, T.,Santarsiero, B.D.,Nguyen, H.A.,Czernin, J.,Alexandrova, A.N.,Jung, M.E.,Radu, C.G.,Lavie, A. Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57:9480-9494, 2014 Cited by PubMed: 25341194DOI: 10.1021/jm501124j PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
Download full validation report