6GMD

The crystal structure of CK2alpha in complex with compound 3

Summary for 6GMD

Entry DOI	10.2210/pdb6gmd/pdb
Descriptor	Casein kinase II subunit alpha, ACETATE ION, [3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium, ... (5 entities in total)
Functional Keywords	ck2alpha, ck2a, fragment based drug discovery, high concentration screening, selective atp competitive inhibitors, surface entrophy reduction, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	84968.47
Authors	Brear, P.,Iegre, J.,North, A.,De Fusco, C.,Georgiou, K.,Lubin, A.,Carro, L.,Sore, H.,Hyvonen, M.,Spring, D. (deposition date: 2018-05-25, release date: 2018-06-06, Last modification date: 2024-01-17)
Primary citation	Brear, P.,North, A.,Iegre, J.,Hadje Georgiou, K.,Lubin, A.,Carro, L.,Green, W.,Sore, H.F.,Hyvonen, M.,Spring, D.R. Novel non-ATP competitive small molecules targeting the CK2 alpha / beta interface. Bioorg. Med. Chem., 26:3016-3020, 2018 Cited by PubMed: 29759799 DOI: 10.1016/j.bmc.2018.05.011 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.66 Å)

Structure validation