We are pleased to share our new publication in JACS Au, entitled: “Small Molecule Activator of Phosphatase PP2A Remodels Scaffold PR65 Structural Dynamics To Promote Holoenzyme Assembly.”

Our study uses docking and molecular dynamics simulations to investigate how two small-molecule activators interact with PR65. The simulations identify stable binding regions and show how ligand binding reshapes the scaffold’s motions, favoring a more extended conformation that can accommodate the catalytic and regulatory subunits of PP2A. The work connects molecular interactions to the structural dynamics underlying complex assembly.

Citation
Yilmaz, S. Z., Banerjee, A., Saha, S., Ohlmeyer, M., Gordon, R., Itzhaki, L. S., Bahar, I., Gur, M. (2026). Small Molecule Activator of Phosphatase PP2A Remodels Scaffold PR65 Structural Dynamics To Promote Holoenzyme Assembly. JACS Au, 6(2), 1102-1117. (IF: 8.5; 5-year IF: 9.4)

View the publication
https://doi.org/10.1021/jacsau.5c01514