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The reaction coordinate of a bacterial GH47 α-mannosidase: a combined quantum mechanical and structural approach.
Thompson AJ, Dabin J, Iglesias-Fernández J, Ardèvol A, Dinev Z, Williams SJ, Bande O, Siriwardena A, Moreland C, Hu TC, Smith DK, Gilbert HJ, Rovira C, Davies GJ. Thompson AJ, et al. Among authors: rovira c. Angew Chem Int Ed Engl. 2012 Oct 29;51(44):10997-1001. doi: 10.1002/anie.201205338. Epub 2012 Sep 26. Angew Chem Int Ed Engl. 2012. PMID: 23012075
Combined inhibitor free-energy landscape and structural analysis reports on the mannosidase conformational coordinate.
Williams RJ, Iglesias-Fernández J, Stepper J, Jackson A, Thompson AJ, Lowe EC, White JM, Gilbert HJ, Rovira C, Davies GJ, Williams SJ. Williams RJ, et al. Among authors: rovira c. Angew Chem Int Ed Engl. 2014 Jan 20;53(4):1087-91. doi: 10.1002/anie.201308334. Epub 2013 Dec 11. Angew Chem Int Ed Engl. 2014. PMID: 24339341 Free PMC article.
Substrate-guided front-face reaction revealed by combined structural snapshots and metadynamics for the polypeptide N-acetylgalactosaminyltransferase 2.
Lira-Navarrete E, Iglesias-Fernández J, Zandberg WF, Compañón I, Kong Y, Corzana F, Pinto BM, Clausen H, Peregrina JM, Vocadlo DJ, Rovira C, Hurtado-Guerrero R. Lira-Navarrete E, et al. Among authors: rovira c. Angew Chem Int Ed Engl. 2014 Jul 28;53(31):8206-10. doi: 10.1002/anie.201402781. Epub 2014 Jun 20. Angew Chem Int Ed Engl. 2014. PMID: 24954443
Dynamic interplay between catalytic and lectin domains of GalNAc-transferases modulates protein O-glycosylation.
Lira-Navarrete E, de Las Rivas M, Compañón I, Pallarés MC, Kong Y, Iglesias-Fernández J, Bernardes GJ, Peregrina JM, Rovira C, Bernadó P, Bruscolini P, Clausen H, Lostao A, Corzana F, Hurtado-Guerrero R. Lira-Navarrete E, et al. Among authors: rovira c. Nat Commun. 2015 May 5;6:6937. doi: 10.1038/ncomms7937. Nat Commun. 2015. PMID: 25939779 Free PMC article.
The reaction mechanism of retaining glycosyltransferases.
Ardèvol A, Iglesias-Fernández J, Rojas-Cervellera V, Rovira C. Ardèvol A, et al. Among authors: rovira c. Biochem Soc Trans. 2016 Feb;44(1):51-60. doi: 10.1042/BST20150177. Biochem Soc Trans. 2016. PMID: 26862188 Review.
A front-face 'SNi synthase' engineered from a retaining 'double-SN2' hydrolase.
Iglesias-Fernández J, Hancock SM, Lee SS, Khan M, Kirkpatrick J, Oldham NJ, McAuley K, Fordham-Skelton A, Rovira C, Davis BG. Iglesias-Fernández J, et al. Among authors: rovira c. Nat Chem Biol. 2017 Aug;13(8):874-881. doi: 10.1038/nchembio.2394. Epub 2017 Jun 12. Nat Chem Biol. 2017. PMID: 28604696
408 results