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TitleDiscovery of Potent and Exquisitely Selective Inhibitors of Kinase CK1 with Tunable Isoform Selectivity.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 62, Page e202217532-e202217532, Year 2023
Publish dateJan 10, 2022 (structure data deposition date)
AuthorsNemec, V. / Khirsariya, P. / Janovska, P. / Moyano, P.M. / Maier, L. / Prochazkova, P. / Kebkova, P. / Gybel', T. / Berger, B.T. / Chaikuad, A. ...Nemec, V. / Khirsariya, P. / Janovska, P. / Moyano, P.M. / Maier, L. / Prochazkova, P. / Kebkova, P. / Gybel', T. / Berger, B.T. / Chaikuad, A. / Reinecke, M. / Kuster, B. / Knapp, S. / Bryja, V. / Paruch, K.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:36625768
MethodsX-ray diffraction
Resolution2.3 - 2.6 Å
Structure data

PDB-7qr9:
Crystal structure of CK1 delta in complex with PK-09-82
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7qra:
Crystal structure of CK1 delta in complex with VN725
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-7qrb:
Crystal structure of CK1 delta in complex with PK-09-129
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-EZQ:
4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine

ChemComp-HOH:
WATER

ChemComp-EYI:
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine

ChemComp-EX9:
3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / kinase / CK1d / inhibitor / Structural Genomics / Structural Genomics Consortium / SGC

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