Items where authors include "Rovira, Carme"

Article

Ofman, Tim P., Heming, Jurriaan J. A., Nin-Hill, Alba et al. (15 more authors) (2024) Conformational and Electronic Variations in 1,2- and 1,6-Cyclophellitols and Their Impact on Retaining α-Glucosidase Inhibition. Chemistry - A European Journal. ISSN 1521-3765 (In Press)

Borlandelli, Valentina, Offen, Wendy A orcid.org/0000-0002-2758-4531, Moroz, Olga et al. (9 more authors) (2023) β-L-Arabinofurano-cyclitol Aziridines are Cysteine-directed Broad-spectrum Inhibitors and Activity-based Probes for Retaining β-L-arabinofuranosidases. ACS Chemical Biology. 2564–2573. ISSN 1554-8937

Males, Alexandra orcid.org/0000-0002-7250-8300, Kok, Ken, Nin-Hill, Alba et al. (8 more authors) (2023) Cyclosulfamidate Mannose-Configured Cyclitol Allows Specific Allele-Dependent Inhibition of GH47 α-D-Mannosidases Through a Bump-Hole Strategy. Chemical Science. pp. 13581-13586. ISSN 2041-6539

Calvelo, Martín, Males, Alexandra orcid.org/0000-0002-7250-8300, Alteen, Matthew G. et al. (4 more authors) (2023) Human O-GlcNAcase Uses a Preactivated Boat-like Substrate Conformation for Catalysis : Evidence from X-ray Crystallography and QM/MM Metadynamics. ACS Catalysis. 13672–13678. ISSN 2155-5435

Pengthaisong, Salila, Piniello, Beatriz, Davies, Gideon J. orcid.org/0000-0002-7343-776X et al. (2 more authors) (2023) Reaction mechanism of glycoside hydrolase family 116 utilizes perpendicular protonation. ACS Catalysis. pp. 5850-5863. ISSN 2155-5435

Borlandelli, Valentina, Armstrong, Zachary, Nin-Hill, Alba et al. (6 more authors) (2023) 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors. ChemMedChem. e202200580. ISSN 1860-7187

McGregor, Nicholas G. S., Coines, Joan, Borlandelli, Valentina et al. (14 more authors) (2021) Cysteine Nucleophiles in Glycosidase Catalysis : Application of a Covalent β-L-Arabinofuranosidase Inhibitor. Angewandte Chemie International Edition. pp. 5754-5758. ISSN 1433-7851

Darby, John F. orcid.org/0000-0003-2754-6348, Gilio, Amelia K., Piniello, Beatriz et al. (6 more authors) (2020) Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase v. ACS Catalysis. pp. 8590-8596. ISSN 2155-5435

Rovira, Carme, Males, Alexandra orcid.org/0000-0002-7250-8300, Davies, Gideon J orcid.org/0000-0002-7343-776X et al. (1 more author) (2020) Mannosidase mechanism : at the intersection of conformation and catalysis. CURRENT OPINION IN STRUCTURAL BIOLOGY. pp. 79-92. ISSN 0959-440X

Sobala, Lukasz F. orcid.org/0000-0002-3807-6452, Speciale, Gaetano, Zhu, Sha et al. (17 more authors) (2020) An epoxide intermediate in glycosidase catalysis. ACS Central Science. pp. 760-770. ISSN 2374-7943

McGregor, Nicholas G.S., Artola, Marta, Nin-Hill, Alba et al. (12 more authors) (2020) Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining α-l-Arabinofuranosidases. Journal of the American Chemical Society. pp. 4648-4662. ISSN 1520-5126

Artola, Marta, Hedberg, Christinne, Rowland, Rhianna J. et al. (11 more authors) (2019) α-D-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal α-galactosidase A in Fabry disease. Chemical Science. ISSN 2041-6539

Schröder, Sybrin P., De Boer, Casper, McGregor, Nicholas G.S. et al. (22 more authors) (2019) Dynamic and Functional Profiling of Xylan-Degrading Enzymes in Aspergillus Secretomes Using Activity-Based Probes. ACS Central Science. pp. 1067-1078. ISSN 2374-7943

Wang, Binju, Walton, Paul Howard orcid.org/0000-0002-1152-1480 and Rovira, Carme (2019) The Molecular Mechanisms of Oxygen Activation and Hydrogen Peroxide Formation in Lytic Polysaccharide Monooxygenases. ACS Catalysis. ISSN 2155-5435

Bilyard, Matthew K, Bailey, Henry J, Raich, Lluís et al. (8 more authors) (2018) Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis. Nature. 235–240. ISSN 0028-0836

Wang, Binju, Johnston, Esther M., Li, Pengfei et al. (4 more authors) (2018) QM/MM studies into the H2O2-dependent activity of lytic polysaccharide monooxygenases: Evidence for the formation of a caged hydroxyl radical intermediate. ACS Catalysis. 1346–1351. ISSN 2155-5435

Belz, Tyson, Jin, Yi orcid.org/0000-0002-6927-4371, Coines, Joan et al. (3 more authors) (2017) An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-α-mannanase inhibitor. Chemical Communications. pp. 9238-9241. ISSN 1364-548X

Artola, Marta, Wu, Liang orcid.org/0000-0003-0294-7065, Ferraz, Maria J. et al. (10 more authors) (2017) 1,6-Cyclophellitol Cyclosulfates : A New Class of Irreversible Glycosidase Inhibitor. ACS Central Science. pp. 784-793. ISSN 2374-7943

Males, Alexandra orcid.org/0000-0002-7250-8300, Raich, Lluís, Williams, Spencer J et al. (2 more authors) (2017) Conformational analysis of the mannosidase inhibitor kifunensine : a quantum mechanical and structural approach. Chembiochem. pp. 1-7. ISSN 1439-7633

Alonso-Gil, Santiago, Males, Alexandra orcid.org/0000-0002-7250-8300, Fernandes, Pearl et al. (3 more authors) (2017) Computational design-of-experiment unveils the conformational reaction coordinate of GH125 α-mannosidases. Journal of the American Chemical Society. ja-2016-11247. 1085–1088. ISSN 1520-5126

Beenakker, Thomas J. M., Wander, Dennis, Offen, Wendy A. orcid.org/0000-0002-2758-4531 et al. (13 more authors) (2017) Carba-Cyclophellitols are Neutral Retaining Glucosidase Inhibitors. Journal of the American Chemical Society. 6534–6537. ISSN 1520-5126

Petricevic, Marija, Sobala, Lukasz orcid.org/0000-0002-3807-6452, Fernandes, Pearl Z. et al. (10 more authors) (2017) Contribution of shape and charge to the inhibition of a family GH99 endo-α-1,2-mannanase. Journal of the American Chemical Society. jacs.6b10075. 1089–1097. ISSN 1520-5126

Jin, Yi orcid.org/0000-0002-6927-4371, Petricevic, Marija, John, Alan et al. (9 more authors) (2016) A β-mannanase with a lysozyme-like fold and a novel molecular catalytic mechanism. ACS Central Science. pp. 896-903.

Agirre, Jon orcid.org/0000-0002-1086-0253, Iglesias-Fernández, Javier, Rovira, Carme et al. (3 more authors) (2015) Privateer : software for the conformational validation of carbohydrate structures. Nature Structural & Molecular Biology. pp. 833-834. ISSN 1545-9993

Williams, Rohan J, Iglesias-Fernández, Javier, Stepper, Judith orcid.org/0000-0003-3201-8099 et al. (8 more authors) (2014) Combined inhibitor free-energy landscape and structural analysis reports on the mannosidase conformational coordinate. Angewandte Chemie International Edition. pp. 1087-1091. ISSN 1433-7851