A. Tolstikova

Cooperative Allostery and Structural Dynamics of Streptavidin at Cryogenic- and Ambient-temperature

The paper presents two apo-streptavidin structures at different temperatures and reveals cooperative allostery through water-mediated interactions.

Direct Observation of the Mechanism of Antibiotic Resistance by Mix-and-Inject at the European XFEL

The paper directly observes fast ligand binding in a biomedically relevant enzyme using MHz X-ray pulses at the European XFEL.

Inhibition of SARS-CoV-2 main protease by allosteric drug-binding

The paper identifies 37 compounds binding to SARS-CoV-2 main protease through X-ray crystallography, with five non-peptidic compounds showing antiviral activity in cell-based assays.

Near-Physiological-Temperature Serial Femtosecond X-ray Crystallography Reveals Novel Conformations of SARS-CoV-2 Main Protease Active Site for Improved Drug Repurposing

The paper determines two apo structures of SARS-CoV-2 main protease at near-physiological temperature using SFX and uses molecular simulations to analyze inhibitor binding for drug repurposing.

Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease

The paper presents the crystal structure of SARS-CoV-2 main protease covalently bound to a metabolite of HEAT, revealing a pro-drug mechanism and potential for non-peptidic inhibitors.