3U4U

Casein kinase 2 in complex with AZ-Inhibitor

Summary for 3U4U

Entry DOI	10.2210/pdb3u4u/pdb
Descriptor	Casein kinase II subunit alpha, 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid, CHLORIDE ION, ... (4 entities in total)
Functional Keywords	kinase, transferase, inhibitor binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	40357.41
Authors	Larsen, N.A.,Dowling, J. (deposition date: 2011-10-10, release date: 2012-08-22, Last modification date: 2024-02-28)
Primary citation	Dowling, J.E.,Chuaqui, C.,Pontz, T.W.,Lyne, P.D.,Larsen, N.A.,Block, M.H.,Chen, H.,Su, N.,Wu, A.,Russell, D.,Pollard, H.,Lee, J.W.,Peng, B.,Thakur, K.,Ye, Q.,Zhang, T.,Brassil, P.,Racicot, V.,Bao, L.,Denz, C.R.,Cooke, E. Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization. ACS Med Chem Lett, 3:278-283, 2012 Cited by PubMed Abstract: In this paper we describe a series of 3-cyano-5-aryl-7-aminopyrazolo[1,5-a]pyrimidine hits identified by kinase-focused subset screening as starting points for the structure-based design of conformationally constrained 6-acetamido-indole inhibitors of CK2. The synthesis, SAR, and effects of this novel series on Akt signaling and cell proliferation in vitro are described. PubMed: 24900464 DOI: 10.1021/ml200257n PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation