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Structure paper

TitleDesign, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Journal, issue, pagesMolecules, Vol. 24, Year 2019
Publish dateNov 23, 2017 (structure data deposition date)
AuthorsLuxenburger, A. / Schmidt, D. / Ianes, C. / Pichlo, C. / Kruger, M. / von Drathen, T. / Brunstein, E. / Gainsford, G.J. / Baumann, U. / Knippschild, U. / Peifer, C.
External linksMolecules / PubMed:30832206
MethodsX-ray diffraction
Resolution1.83 - 1.864 Å
Structure data

PDB-6f1w:
Crystal structure of human Casein Kinase I delta in complex with compound 31a
Method: X-RAY DIFFRACTION / Resolution: 1.864 Å

PDB-6f26:
Crystal structure of human Casein Kinase I delta in complex with compound 31b
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-CG5:
(9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide

ChemComp-HOH:
WATER

ChemComp-C9Z:
(9~{S},10~{S},11~{R})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Kinase / Inhibitor / Complex / CK1

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