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Ligand-induced CaMKIIα hub Trp403 flip, hub domain stacking, and modulation of kinase activity.
Narayanan D, Larsen ASG, Gauger SJ, Adafia R, Hammershøi RB, Hamborg L, Bruus-Jensen J, Griem-Krey N, Gee CL, Frølund B, Stratton MM, Kuriyan J, Kastrup JS, Langkilde AE, Wellendorph P, Solbak SMØ. Narayanan D, et al. Among authors: bruus jensen j. Protein Sci. 2024 Oct;33(10):e5152. doi: 10.1002/pro.5152. Protein Sci. 2024. PMID: 39275999 Free PMC article.
Exploring the NCS-382 Scaffold for CaMKIIα Modulation: Synthesis, Biochemical Pharmacology, and Biophysical Characterization of Ph-HTBA as a Novel High-Affinity Brain-Penetrant Stabilizer of the CaMKIIα Hub Domain.
Tian Y, Shehata MA, Gauger SJ, Veronesi C, Hamborg L, Thiesen L, Bruus-Jensen J, Royssen JS, Leurs U, Larsen ASG, Krall J, Solbak SMØ, Wellendorph P, Frølund B. Tian Y, et al. Among authors: bruus jensen j. J Med Chem. 2022 Nov 24;65(22):15066-15084. doi: 10.1021/acs.jmedchem.2c00805. Epub 2022 Nov 8. J Med Chem. 2022. PMID: 36346645