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Structure paper

TitleUnprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Journal, issue, pagesBiochemistry, Vol. 50, Page 8478-8488, Year 2011
Publish dateOct 25, 2010 (structure data deposition date)
AuthorsBattistutta, R. / Cozza, G. / Pierre, F. / Papinutto, E. / Lolli, G. / Sarno, S. / O'Brien, S.E. / Siddiqui-Jain, A. / Haddach, M. / Anderes, K. ...Battistutta, R. / Cozza, G. / Pierre, F. / Papinutto, E. / Lolli, G. / Sarno, S. / O'Brien, S.E. / Siddiqui-Jain, A. / Haddach, M. / Anderes, K. / Ryckman, D.M. / Meggio, F. / Pinna, L.A.
External linksBiochemistry / PubMed:21870818
MethodsX-ray diffraction
Resolution1.6 - 1.9 Å
Structure data

PDB-3pe1:
Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-4945
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3pe2:
Crystal structure of human protein kinase CK2 in complex with the inhibitor CX-5011
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3r0t:
Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-5279
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-3NG:
5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid / chemotherapy, inhibitor*YM

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-E1B:
5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid

ChemComp-FU9:
3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
Keywordstransferase/transferase inhibitor / Kinase / CK2-inhibitor complex / transferase-transferase inhibitor complex / TRANSFERASE

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