🧱 Crystal structure shows binding on the opposite face to CDK, enabling ternary complex formation.
🧪 In cells, nanobodies act as pharmacological chaperones to restore p16 function!

#StructuralBiology #CellCycle #Nanobodies #CancerResearch #ProteinStability

#FragLites offer a fast, chemically rich method to identify allosteric sites, guide probe development, and validate AI-generated structural models. Their ability to mimic key interaction residues makes them ideal for designing separation-of-function mutations and selective inhibitors. 🧵3/3

While FragLites reliably bound to established interaction regions like the Palm site, ATP cleft, and RXL motif, we see a previously uncharacterized site at the CDK2–cyclin A interface. This site, rich in fragment engagement, may extend the SKP2 binding surface described by Kelso et al. (2021). 🧵 2/3

And thanks to the team at Newcastle for stepping up to the challenge!: @creechem.bsky.social, Rachael Pirie, @bieniekmat.bsky.social, @jthorton22.bsky.social, Ayaz Ahmad, Aaron Campbell, Kallie Friston, Natalie Roper, Roly Armstrong, Kate Harris, & @nataliejtatum.bsky.social

Ah, fantastic, that's perfect!

Hi Javier - super interested in this! Can it be run on non-deposited PDB fragment datasets? (The notebook appears to pull using accession codes only?)