7AT9

Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine

Summary for 7AT9

Entry DOI	10.2210/pdb7at9/pdb
Descriptor	Casein kinase II subunit alpha', 2-(3,4-dichlorophenyl)ethanamine, CHLORIDE ION, ... (7 entities in total)
Functional Keywords	protein kinase ck2, casein kinase 2, bivalent inhibitor, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	44304.16
Authors	Lindenblatt, D.,Applegate, V.,Nickelsen, A.,Klussmann, M.,Neundorf, I.,Goetz, C.,Jose, J.,Niefind, K. (deposition date: 2020-10-29, release date: 2021-08-04, Last modification date: 2022-02-09)
Primary citation	Lindenblatt, D.,Applegate, V.,Nickelsen, A.,Klussmann, M.,Neundorf, I.,Gotz, C.,Jose, J.,Niefind, K. Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity. J.Med.Chem., 65:1302-1312, 2022 Cited by PubMed: 34323071 DOI: 10.1021/acs.jmedchem.1c00063 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.05 Å)

Structure validation