De novo design and structure of a peptide-centric TCR mimic binding module
Karsten D. Householder, Xinyu Xiang, Kevin M. Jude, Arthur Deng, Matthias Obenaus, Yang Zhao, Steven C. Wilson, Xiaojing Tina Chen, Nan Wang, K. Christopher García
A de novo four-helix bundle designed with RFdiffusion and ProteinMPNN binds NY-ESO-1/HLA-A*02 at Kd 9.5 nM, with a 2.05 Å crystal structure and peptide-focused docking.
Science · Jul 24, 2025Peer-reviewedImmunology✦ In-depth digest