8VXE

Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6

This is a non-PDB format compatible entry.

Summary for 8VXE

• Entry DOI: 10.2210/pdb8vxe/pdb
• Descriptor: Mitogen-activated protein kinase 14, (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (3 entities in total)
• Functional Keywords: kinase, transferase, p38 alpha, mapk14, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 45242.30

Authors

Blaesse, M.,Steinbacher, S.,Shaffer, P.L.,Sharma, S.,Thompson, A.A. (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 (1.85 Å)