Theoretical study of enzymatic catalysis explains why the trapped covalent intermediate in the E303C mutant of glycosyltransferase GTB was not detected in the wild-type enzyme

A theoretical study on the catalytic mechanism of the retaining α-1,2-mannosyltransferase Kre2p/Mnt1p: the impact of different metal ions on catalysis

(2014) Adela Bobovská et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

A computational and experimental study of O-glycosylation. Catalysis by human UDP-GalNAc polypeptide:GalNAc transferase-T2

(2014) Hansel Gómez et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Formation of a Covalent Glycosyl-Enzyme Species in a Retaining Glycosyltransferase

(2013) Víctor Rojas-Cervellera et al.   CHEMISTRY-A EUROPEAN JOURNAL

Substrate-Assisted and Nucleophilically Assisted Catalysis in Bovine α1,3-Galactosyltransferase. Mechanistic Implications for Retaining Glycosyltransferases

(2013) Hansel Gómez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Essential role of glutamate 317 in galactosyl transfer by α3GalT: a computational study

(2012) Hansel Gómez et al.   CARBOHYDRATE RESEARCH

Retaining Glycosyltransferase Mechanism Studied by QM/MM Methods: Lipopolysaccharyl-α-1,4-galactosyltransferase C Transfers α-Galactose via an Oxocarbenium Ion-like Transition State

(2012) Hansel Gómez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Stepwise Solvent-Promoted SNi Reaction of α-d-Glucopyranosyl Fluoride: Mechanistic Implications for Retaining Glycosyltransferases

(2011) Jefferson Chan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic evidence for a front-side, SNi-type reaction in a retaining glycosyltransferase

(2011) Seung Seo Lee et al.   Nature Chemical Biology

Theoretical insights into the catalytic mechanism of β-hexosaminidase

(2011) Óscar Passos et al.   THEORETICAL CHEMISTRY ACCOUNTS

Binding of an acceptor substrate analog enhances the enzymatic activity of human blood group B galactosyltransferase

(2010) Nora Sindhuwinata et al.   GLYCOBIOLOGY

Trapping and characterization of covalent intermediates of mutant retaining glycosyltransferases

(2010) Naoto Soya et al.   GLYCOBIOLOGY

ABO(H) Blood Group A and B Glycosyltransferases Recognize Substrate via Specific Conformational Changes

(2008) Javier A. Alfaro et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Mechanistic studies on the formation of glycosidase-substrate and glycosidase-inhibitor covalent intermediates

(2008) Natércia F. Brás et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Very fast prediction and rationalization of pKa values for protein-ligand complexes

(2008) Delphine C. Bas et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS