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TitleStructure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 15, Page 486-492, Year 2024
Publish dateFeb 4, 2024 (structure data deposition date)
AuthorsMcCarver, S. / Hanna, L. / Samant, A. / Thompson, A.A. / Seierstad, M. / Saha, A. / Wu, D. / Lord, B. / Sutton, S.W. / Shah, V. ...McCarver, S. / Hanna, L. / Samant, A. / Thompson, A.A. / Seierstad, M. / Saha, A. / Wu, D. / Lord, B. / Sutton, S.W. / Shah, V. / Milligan, C.M. / Wennerholm, M. / Shelton, J. / Lebold, T.P. / Shireman, B.T.
External linksAcs Med. Chem. Lett. / PubMed:38628796
MethodsX-ray diffraction
Resolution1.85 - 2.47 Å
Structure data

PDB-8vxd:
Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 7
Method: X-RAY DIFFRACTION / Resolution: 2.47 Å

PDB-8vxe:
Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-8vxf:
Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

Chemicals

PDB-1ad7:
NMR STRUCTURE OF METAL-FREE CONANTOKIN G, 1 STRUCTURE

ChemComp-HOH:
WATER

PDB-1ad9:
IGG-FAB FRAGMENT OF ENGINEERED HUMAN MONOCLONAL ANTIBODY CTM01

PDB-1ad8:
COMPLEX OF THROMBIN WITH AND INHIBITOR CONTAINING A NOVEL P1 MOIETY

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / CK1D / KINASE / TRANSFERASE / inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex / p38 alpha / MAPK14

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