Monoclinic crystal structure of protein kinase CK2 catalytic subunit CK2alpha' (CSNK2A2 gene product) in complex with the indenoindole-precursor compound D-0-1B10 (JC0151)

In the research work associated with this paper we describe a workflow for characterization of indenoindole-type ATP-competitive inhibitors of protein kinase CK2. The last step of the synthesis of indenoindoles is dehydration. A not dehydrated indenoindole, a pre-indenoindole, is not ATP-competitve. We wanted to show this by extensive soaking of crystals of different crystal forms and the ligand. Here, the compound was shown to not bind to the ATP binding site of CK2alpha'.