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Structure paper

TitleCarba-cyclophellitols Are Neutral Retaining-Glucosidase Inhibitors.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 139, Page 6534-6537, Year 2017
Publish dateFeb 16, 2017 (structure data deposition date)
AuthorsBeenakker, T.J.M. / Wander, D.P.A. / Offen, W.A. / Artola, M. / Raich, L. / Ferraz, M.J. / Li, K.Y. / Houben, J.H.P.M. / van Rijssel, E.R. / Hansen, T. ...Beenakker, T.J.M. / Wander, D.P.A. / Offen, W.A. / Artola, M. / Raich, L. / Ferraz, M.J. / Li, K.Y. / Houben, J.H.P.M. / van Rijssel, E.R. / Hansen, T. / van der Marel, G.A. / Codee, J.D.C. / Aerts, J.M.F.G. / Rovira, C. / Davies, G.J. / Overkleeft, H.S.
External linksJ. Am. Chem. Soc. / PubMed:28463498
MethodsX-ray diffraction
Resolution2.1 Å
Structure data

PDB-5n6s:
Thermotoga maritima family 1 Glycoside hydrolase complexed with Carba-Cyclophellitol transition state mimic
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5n6t:
Thermotoga maritima family 1 glycoside hydrolase complexed with a cyclophellitol analogue transition state mimic
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-IMD:
IMIDAZOLE

ChemComp-8P5:
azanylidene-[4-[[(1~{S},2~{R},3~{R},4~{R},5~{S},6~{S},7~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-bicyclo[4.1.0]heptanyl]carbonylamino]butylimino]azanium

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-ACT:
ACETATE ION

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

ChemComp-8P2:
[(1~{R},2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium

Source
  • thermotoga maritima (bacteria)
KeywordsHYDROLASE / carba-cyclophellitol / mimic

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