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TitleNovel non-ATP competitive small molecules targeting the CK2 alpha / beta interface.
Journal, issue, pagesBioorg. Med. Chem., Vol. 26, Page 3016-3020, Year 2018
Publish dateMay 11, 2018 (structure data deposition date)
AuthorsBrear, P. / North, A. / Iegre, J. / Hadje Georgiou, K. / Lubin, A. / Carro, L. / Green, W. / Sore, H.F. / Hyvonen, M. / Spring, D.R.
External linksBioorg. Med. Chem. / PubMed:29759799
MethodsX-ray diffraction
Resolution1.66 - 1.96 Å
Structure data

PDB-6gih:
Crystal Structure of CK2alpha with CAM187 bound
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-6gmd:
The crystal structure of CK2alpha in complex with compound 3
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

Chemicals

ChemComp-ACT:
ACETATE ION

ChemComp-EZN:
[3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine

ChemComp-HOH:
WATER

ChemComp-A8Q:
[3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / CK2alpha / CK2a / fragment based drug discovery / high concentration screening / selective ATP competitive inhibitors / surface entrophy reduction

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