Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid.

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Sekiguchi Y, Nakaniwa T, Kinoshita T, Nakanishi I, Kitaura K, Hirasawa A, Tsujimoto G, Tada T

Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid.

Bioorg Med Chem Lett. 2009 Jun 1;19(11):2920-3. doi: 10.1016/j.bmcl.2009.04.076. Epub 2009 Apr 22.

PubMed ID

19414254 [ View in PubMed

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Abstract

We determined the 2.35-A crystal structure of a human CK2 catalytic subunit (referred to as CK2alpha complexed with the ATP-competitive, potent CK2 inhibitor ellagic acid. The inhibitor binds to CK2alpha with a novel binding mode, including water-mediated hydrogen bonds. This structural information may support discovery of potent CK2 inhibitors.

DrugBank Data that Cites this Article

Drug Targets

Drug	Target	Kind	Organism	Pharmacological Action	Actions
Ellagic acid	Casein kinase II subunit alpha	Protein	Humans	Unknown	Inhibitor	Details

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
(5-hydroxyindolo[1,2-a]quinazolin-7-yl)acetic acid	Casein kinase II subunit alpha	IC 50 (nM)	390	N/A	N/A	Details
Dichlororibofuranosylbenzimidazole	Casein kinase II subunit alpha	IC 50 (nM)	13000	N/A	N/A	Details
Ellagic acid	Casein kinase II subunit alpha	IC 50 (nM)	40	N/A	N/A	Details
Emodin	Casein kinase II subunit alpha	IC 50 (nM)	2000	N/A	N/A	Details
Tetrabromo-2-Benzotriazole	Casein kinase II subunit alpha	IC 50 (nM)	900	N/A	N/A	Details