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Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1β-IL1R and p38α-TAB1 Complexes.
Nichols C, Ng J, Keshu A, Kelly G, Conte MR, Marber MS, Fraternali F, De Nicola GF. Nichols C, et al. Among authors: keshu a. J Med Chem. 2020 Jul 23;63(14):7559-7568. doi: 10.1021/acs.jmedchem.0c00403. Epub 2020 Jul 1. J Med Chem. 2020. PMID: 32543856