@article{BanerjeeSilvaLipowskyetal.2022,
  author    = {Banerjee, Pallavi and Silva, Daniel Varon and Lipowsky, Reinhard and Santer, Mark},
  title     = {The importance of side branches of glycosylphosphatidylinositol anchors},
  series = {Glycobiology},
  volume    = {32},
  journal   = {Glycobiology},
  number    = {11},
  publisher = {Oxford Univ. Press},
  address   = {Cary},
  issn      = {1460-2423},
  doi       = {10.1093/glycob/cwac037},
  pages     = {933 -- 948},
  year      = {2022},
  abstract  = {Many proteins are anchored to the cell surface of eukaryotes using a unique family of glycolipids called glycosylphosphatidylinositol (GPI) anchors. These glycolipids also exist without a covalently bound protein, in particular on the cell surfaces of protozoan parasites where they are densely populated. GPIs and GPI-anchored proteins participate in multiple cellular processes such as signal transduction, cell adhesion, protein trafficking and pathogenesis of Malaria, Toxoplasmosis, Trypanosomiasis and prion diseases, among others. All GPIs share a common conserved glycan core modified in a cell-dependent manner with additional side glycans or phosphoethanolamine residues. Here, we use atomistic molecular dynamic simulations and perform a systematic study to evaluate the structural properties of GPIs with different side chains inserted in lipid bilayers. Our results show a flop-down orientation of GPIs with respect to the membrane surface and the presentation of the side chain residues to the solvent. This finding agrees well with experiments showing the role of the side residues as active epitopes for recognition of GPIs by macrophages and induction of GPI-glycan-specific immune responses. Protein-GPI interactions were investigated by attaching parasitic GPIs to Green Fluorescent Protein. GPIs are observed to recline on the membrane surface and pull down the attached protein close to the membrane facilitating mutual contacts between protein, GPI and the lipid bilayer. This model is efficient in evaluating the interaction of GPIs and GPI-anchored proteins with membranes and can be extended to study other parasitic GPIs and proteins and develop GPI-based immunoprophylaxis to treat infectious diseases.},
  language  = {en}
}
@article{SchildeKellingUmbreenetal.2016,
  author    = {Schilde, Uwe and Kelling, Alexandra and Umbreen, Sumaira and Linker, Torsten},
  title     = {Crystal structures of three bicyclic carbohydrate derivatives},
  series = {Acta crystallographica Section E ; Crystallographic communications},
  volume    = {72},
  journal   = {Acta crystallographica Section E ; Crystallographic communications},
  number    = {12},
  publisher = {IUCR},
  address   = {Chester},
  issn      = {2056-9890},
  doi       = {10.1107/S2056989016018727},
  pages     = {1839 -- 1844},
  year      = {2016},
  abstract  = {The title compounds, [(1R,3R,4R,5R,6S)-4,5-bis(acetyloxy)-7-oxo-2-oxabicyclo- [4.2.0]octan-3-yl]methyl acetate, C14H18O8, (I), [(1S,4R,5S,6R)-5-acetyloxy-7- hydroxyimino-2-oxobicyclo[4.2.0]octan-4-yl acetate, C11H15NO6, (II), and [(3aR,5R,6R,7R,7aS)-6,7-bis(acetyloxy)-2-oxooctahydropyrano[3,2-b]pyrrol-5- yl]methyl acetate, C14H19NO8, (III), are stable bicyclic carbohydrate derivatives. They can easily be synthesized in a few steps from commercially available glycals. As a result of the ring strain from the four-membered rings in (I) and (II), the conformations of the carbohydrates deviate strongly from the ideal chair form. Compound (II) occurs in the boat form. In the five-membered lactam (III), on the other hand, the carbohydrate adopts an almost ideal chair conformation. As a result of the distortion of the sugar rings, the configurations of the three bicyclic carbohydrate derivatives could not be determined from their NMR coupling constants. From our three crystal structure determinations, we were able to establish for the first time the absolute configurations of all new stereocenters of the carbohydrate rings.},
  language  = {en}
}
@misc{SchildeKellingUmbreenetal.2016,
  author    = {Schilde, Uwe and Kelling, Alexandra and Umbreen, Sumaira and Linker, Torsten},
  title     = {Crystal structures of three bicyclic carbohydrate derivatives},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-100833},
  pages     = {6},
  year      = {2016},
  abstract  = {The title compounds, [(1R,3R,4R,5R,6S)-4,5-bis­(acet­yloxy)-7-oxo-2-oxabi­cyclo[4.2.0]octan-3-yl]methyl acetate, C14H18O8, (I), [(1S,4R,5S,6R)-5-acet­yloxy-7-hy­droxy­imino-2-oxobi­cyclo­[4.2.0]octan-4-yl acetate, C11H15NO6, (II), and [(3aR,5R,6R,7R,7aS)-6,7-bis­(acet­yloxy)-2-oxo­octa­hydro­pyrano[3,2-b]pyrrol-5-yl]methyl acetate, C14H19NO8, (III), are stable bicyclic carbohydrate derivatives. They can easily be synthesized in a few steps from commercially available glycals. As a result of the ring strain from the four-membered rings in (I) and (II), the conformations of the carbohydrates deviate strongly from the ideal chair form. Compound (II) occurs in the boat form. In the five-membered lactam (III), on the other hand, the carbohydrate adopts an almost ideal chair conformation. As a result of the distortion of the sugar rings, the configurations of the three bicyclic carbohydrate derivatives could not be determined from their NMR coupling constants. From our three crystal structure determinations, we were able to establish for the first time the absolute configurations of all new stereocenters of the carbohydrate rings.},
  language  = {en}
}
@article{SchildeKellingUmbreenetal.2016,
  author    = {Schilde, Uwe and Kelling, Alexandra and Umbreen, Sumaira and Linker, Torsten},
  title     = {Crystal structures of three bicyclic carbohydrate derivatives},
  series = {Acta crystallographica, Section E, Crystallographic communications},
  volume    = {72},
  journal   = {Acta crystallographica, Section E, Crystallographic communications},
  publisher = {International Union of Crystallography},
  address   = {Chester},
  issn      = {2056-9890},
  doi       = {10.1107/S2056989016018727},
  pages     = {1839 -- +},
  year      = {2016},
  abstract  = {The title compounds, [(1R,3R,4R,5R,6S)-4,5-bis(acetyloxy)-7-oxo-2-oxabicyclo-[4.2.0]octan-3-yl]methyl acetate, C14H18O8, (I), [(1S,4R,5S,6R)-5-acetyloxy-7-hydroxyimino-2-oxobicyclo[4.2.0] octan-4-yl acetate, C11H15NO6, (II), and [(3aR, 5R, 6R, 7R, 7aS)-6,7-bis(acetyloxy)-2-oxooctahydropyrano[3,2-b]pyrrol-5-yl] methyl acetate, C14H19NO8, (III), are stable bicyclic carbohydrate derivatives. They can easily be synthesized in a few steps from commercially available glycals. As a result of the ring strain from the four-membered rings in (I) and (II), the conformations of the carbohydrates deviate strongly from the ideal chair form. Compound (II) occurs in the boat form. In the five-membered lactam (III), on the other hand, the carbohydrate adopts an almost ideal chair conformation. As a result of the distortion of the sugar rings, the configurations of the three bicyclic carbohydrate derivatives could not be determined from their NMR coupling constants. From our three crystal structure determinations, we were able to establish for the first time the absolute configurations of all new stereocenters of the carbohydrate rings.},
  language  = {en}
}