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Structure paper

TitleX-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Journal, issue, pagesChemmedchem, Vol. 8, Page 1846-, Year 2013
Publish dateJun 18, 2013 (structure data deposition date)
AuthorsXue, Y. / Wan, P.T. / Hillertz, P. / Schweikart, F. / Zhao, Y. / Wissler, L. / Dekker, N.
External linksChemmedchem / PubMed:24039150
MethodsX-ray diffraction
Resolution2 - 2.54 Å
Structure data

PDB-4btj:
TTBK1 in complex with ATP
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-4btk:
TTBK1 in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-4btm:
TTBK1 in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.54 Å

Chemicals

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-PO4:
PHOSPHATE ION

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

ChemComp-HOH:
WATER

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-DTQ:
4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE

ChemComp-SO4:
SULFATE ION

ChemComp-F8E:
methyl 2-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / LIGAND COMPLEX / STRUCTURE-KINETICS RELATIONSHIP

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