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TitleFacile Modulation of Antibody Fucosylation with Small Molecule Fucostatin Inhibitors and Cocrystal Structure with GDP-Mannose 4,6-Dehydratase.
Journal, issue, pagesAcs Chem. Biol., Vol. 11, Page 2734-2743, Year 2016
Publish dateMar 7, 2016 (structure data deposition date)
AuthorsAllen, J.G. / Mujacic, M. / Frohn, M.J. / Pickrell, A.J. / Kodama, P. / Bagal, D. / San Miguel, T. / Sickmier, E.A. / Osgood, S. / Swietlow, A. ...Allen, J.G. / Mujacic, M. / Frohn, M.J. / Pickrell, A.J. / Kodama, P. / Bagal, D. / San Miguel, T. / Sickmier, E.A. / Osgood, S. / Swietlow, A. / Li, V. / Jordan, J.B. / Kim, K.W. / Rousseau, A.C. / Kim, Y.J. / Caille, S. / Achmatowicz, M. / Thiel, O. / Fotsch, C.H. / Reddy, P. / McCarter, J.D.
External linksAcs Chem. Biol. / PubMed:27434622
MethodsX-ray diffraction
Resolution1.6 - 1.9 Å
Structure data

PDB-5in4:
Crystal Structure of GDP-mannose 4,6 dehydratase bound to a GDP-fucose based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-5in5:
Crystal Structure of GDP-mannose 4,6 dehydratase in complex with natural inhibitor GDP-Fucose
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-GDP:
GUANOSINE-5'-DIPHOSPHATE / GDP, energy-carrying molecule*YM

ChemComp-6CK:
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

ChemComp-HOH:
WATER

ChemComp-GFB:
GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsLYASE/INHIBITOR / GDP-mannose 4 / 6 dehydratase / antibody fucosylation / LYASE-INHIBITOR complex / fucosylation

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