QM/MM Study of the Catalytic Reaction of Myrosinase; Importance of Assigning Proper Protonation States of Active-Site Residues.
Jafari S, Ryde U, Irani M.
J Chem Theory Comput · research-article; journal article · DOI 10.1021/acs.jctc.0c01121 PUBLIKATIONSREGISTRET
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Pottel J, Levit A, Korczynska M, Fischer M, Shoichet BK.
ACS Chem Biol · research-article; journal article; research support, n.i.h., extramural · DOI 10.1021/acschembio.8b00443Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen.
Kuntz DA, Tarling CA, Withers SG, Rose DR.
Biochemistry · research support, non-u.s. gov't; research support, u.s. gov't, non-p.h.s.; journal article; research support, n.i.h., extramural · DOI 10.1021/bi8010785Structural and biochemical evidence for a boat-like transition state in beta-mannosidases.
Tailford LE, Offen WA, Smith NL, Dumon C, Morland C, Gratien J, Heck MP, Stick RV, Blériot Y, Vasella A, Gilbert HJ, Davies GJ.
Nat Chem Biol · research support, non-u.s. gov't; journal article · DOI 10.1038/nchembio.81Glycosidase inhibition: an assessment of the binding of 18 putative transition-state mimics.
Gloster TM, Meloncelli P, Stick RV, Zechel D, Vasella A, Davies GJ.
J Am Chem Soc · research support, non-u.s. gov't; journal article · DOI 10.1021/ja066961gHigh resolution X-ray crystallography shows that ascorbate is a cofactor for myrosinase and substitutes for the function of the catalytic base.
Burmeister WP, Cottaz S, Rollin P, Vasella A, Henrissat B.
J Biol Chem · journal article · DOI 10.1074/jbc.m006796200