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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.
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
A New Crystal Form of the SARS-CoV-2 Receptor Binding Domain: CR3022 Complex-An Ideal Target for In-Crystal Fragment Screening of the ACE2 Binding Site Surface.
Nichols C, Ng J, Keshu A, Fraternali F, De Nicola GF.
Nichols C, et al. Among authors: keshu a.
Front Pharmacol. 2020 Dec 14;11:615211. doi: 10.3389/fphar.2020.615211. eCollection 2020.
Front Pharmacol. 2020.
PMID: 33381049
Free PMC article.
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