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TitleOptimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Journal, issue, pagesMolecules, Vol. 22, Year 2017
Publish dateDec 6, 2016 (structure data deposition date)
AuthorsHalekotte, J. / Witt, L. / Ianes, C. / Kruger, M. / Buhrmann, M. / Rauh, D. / Pichlo, C. / Brunstein, E. / Luxenburger, A. / Baumann, U. ...Halekotte, J. / Witt, L. / Ianes, C. / Kruger, M. / Buhrmann, M. / Rauh, D. / Pichlo, C. / Brunstein, E. / Luxenburger, A. / Baumann, U. / Knippschild, U. / Bischof, J. / Peifer, C.
External linksMolecules / PubMed:28338621
MethodsX-ray diffraction
Resolution1.9 - 2.154 Å
Structure data

PDB-5ml5:
Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5mqv:
Crystal structure of human Casein Kinase I delta in complex with 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.154 Å

Chemicals

ChemComp-BOG:
octyl beta-D-glucopyranoside / detergent*YM

ChemComp-1VI:
3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide

ChemComp-HOH:
WATER

ChemComp-D5Q:
4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide

ChemComp-PO4:
PHOSPHATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / kinase / p38alpha / inhibitor / complex / CK1 / CK1D / Kinase-inhibitor complex

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