The use of glycoinformatics in glycochemistry

• Thomas Lütteke

Beilstein J. Org. Chem. 2012, 8, 915–929, doi:10.3762/bjoc.8.104

• SugaBase or manually entered from the literature. Glycosciences.DB also contains information on carbohydrate 3D structures that are available in the Protein Data Bank (PDB, [40]). Extraction and validation of carbohydrate data from PDB entries is automated to a large extent and therefore requires only

• significantly lower quality than the protein parts [26][84][85][86]. Reasons for this are both the greater complexity of carbohydrates, and the fact that, while numerous validation tools are available for protein structures [87], only a few programs exist to validate carbohydrate 3D structures. The PDB

An easily accessible sulfated saccharide mimetic inhibits in vitro human tumor cell adhesion and angiogenesis of vascular endothelial cells

• Grazia Marano,
• Claas Gronewold,
• Martin Frank,
• Anette Merling,
• Christian Kliem,
• Sandra Sauer,
• Manfred Wiessler,
• Eva Frei and
• Reinhard Schwartz-Albiez

Beilstein J. Org. Chem. 2012, 8, 787–803, doi:10.3762/bjoc.8.89

• interaction of GSF with integrins. To find possible binding sites for GSF, we used a “blind docking” approach to screen the protein surface of the extracellular domain of αvβ3, the crystal structure of which was published by Xiong et al. [26]. In an initial validation study, we performed multiple blind