J. Brandao-Neto

Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease

This study characterizes SARS-CoV-2 NSP15 endoribonuclease, identifies its allosteric properties, and discovers new allosteric sites for inhibitor development.

Structure, Mechanism and Crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase

This study presents crystal structures of SARS-CoV-2 NSP13 and identifies druggable pockets, revealing potential targets for antiviral drug development through fragment screening.

Novel quaternary structures of the human prion protein globular domain

This study reports a novel dimeric and oligomeric structure of human PrPC's globular domain and explores its structural dynamics and implications for prion conversion.

Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease

The paper identifies fragment hits against SARS-CoV-2 main protease using crystallography and mass spectrometry, revealing structural insights for drug design.

The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleotide selectivity of PNPs

This paper characterizes the structural and kinetic properties of SmPNP2, a new PNP isoform from Schistosoma mansoni, revealing its ability to bind and catalyze both pyrimidines and purines with a unique binding mode.

New routes for PTP1B allosteric inhibition by multitemperature crystallography, fragment screening and covalent tethering

The paper identifies a new allosteric site in PTP1B using multitemperature crystallography and fragment screening, showing covalent tethering can inhibit enzyme activity.

Gentle, fast and effective crystal soaking by acoustic dispensing

The paper describes a high-throughput method for crystal soaking using acoustic droplet ejection, showing it is gentle, fast, and effective for generating protein-ligand complexes.