8VXF

Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15

This is a non-PDB format compatible entry.

Summary for 8VXF

• Entry DOI: 10.2210/pdb8vxf/pdb
• Descriptor: Casein kinase I isoform delta, (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, ... (4 entities in total)
• Functional Keywords: ck1d, kinase, transferase, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 2
• Total formula weight: 70311.07

Authors

Thompson, A.A.,Milligan, C.M.,Sharma, S. (deposition date: 2024-02-04, release date: 2024-05-08)

• Primary citation: 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.; Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.; Acs Med.Chem.Lett., 15:486-492, 2024; PubMed: 38628796; DOI: 10.1021/acsmedchemlett.3c00523

Experimental method

X-RAY DIFFRACTION (2.28 Å)