O. Fedorov

Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking

The paper identifies new chemical fragments binding to the SARS-CoV-2 Nsp3 macrodomain through crystallographic screening and computational docking, validating their binding with biophysical techniques.

DFG-1 residue controls inhibitor binding mode and affinity providing a basis for rational design of kinase inhibitor selectivity

The paper identifies DFG-1 residues as a target for designing selective kinase inhibitors with non-canonical binding modes, showing that bulky DFG-1 residues enable selectivity over smaller ones.

Structural insights into interaction mechanisms of alternative piperazine-urea YEATS domain binders in MLLT1

The paper characterizes piperazine-urea derivatives as acetyl/acyl-lysine mimetics for MLLT1 and reveals distinct interaction mechanisms through crystal structures.

A structure-based approach towards identification of inhibitory fragments for eleven-nineteen-leukemia protein (ENL) YEATS domain

The paper identifies inhibitory fragments targeting the ENL YEATS domain using crystallography, providing starting points for chemical probe development.

Rapid covalent-probe discovery by electrophile fragment screening

This study develops a method for discovering covalent probes using electrophile fragment screening and identifies selective inhibitors for OTUB2 and NUDT7.

A Chemical Toolbox for the Study of Bromodomains and Epigenetic Signaling

The paper presents a set of 25 chemical probes targeting human bromodomains and demonstrates their utility in studying muscle cell differentiation and triple negative breast cancer.

SGC-GAK-1: a chemical probe for cyclin G associated kinase (GAK)

The paper describes SGC-GAK-1, a selective GAK inhibitor, and identifies a related compound that inhibits RIPK2 without GAK activity, providing tools to study GAK and RIPK2 biology.