7AT5

Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2

Summary for 7AT5

• Entry DOI: 10.2210/pdb7at5/pdb
• Descriptor: Casein kinase II subunit alpha, SULFATE ION, ~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide, ... (6 entities in total)
• Functional Keywords: protein kinase ck2, casein kinase 2, bivalent inhibitor, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 85875.38

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: 2024-01-31)

• 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; PubMed: 34323071; DOI: 10.1021/acs.jmedchem.1c00063

Experimental method

X-RAY DIFFRACTION (1.77 Å)