Glycobiology Advance Access published online on October 20, 2005
Glycobiology, doi:10.1093/glycob/cwj049
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1 German Cancer Research Center, Spectroscopic department (B090), Molecular Modelling, Im Neuenheimer Feld 280, D-69120 Heidelberg, Germany; Present address: Massachusetts Institute of Technology, Division of Biological Engineering, 77 Massachusetts Ave., Cambridge MA 02139, USA
* To whom correspondence should be addressed. The development of glycan related databases and bioinformatics applications is considerably lagging behind compared with the wealth of available data and software tools in genomics and proteomics. Since the encoding of glycan structures is more complex, most of the bioinformatics approaches cannot be applied to glycan structures. No standard procedures exist where glycan structures found in various species, organs, tissues or cells can be routinely deposited. In this article the concepts of the GLYCOSCIENCES.de portal are described. It is demonstrated how an efficient structure based cross-linking of various glycan-related data originating from different resources can be accomplished using a single user interface. The structure oriented retrieval options - exact structure, substructure, motif, composition and sugar components - are discussed. The types of available data - references, composition, spatial structures, NMR shifts (experimental and estimated), theoretically calculated fragments and PDB entries -- are exemplified for Man3. The free availability and unrestricted use of glycan-related data is an absolute prerequisite to efficiently share distributed resources. Additionally, there is an urgent need to agree to a generally accepted exchange format as well as to a common software interface. An open access repository for glyco-related experimental data will secure that the loss of primary data will be considerably reduced.
Received August 25, 2005
Revised October 7, 2005
Accepted October 11, 2005
Article
GLYCOCIENCES.de: An Internet Portal to Support Glycomics and Glycobiology Research
2 German Cancer Research Center, Spectroscopic department (B090), Molecular Modelling, Im Neuenheimer Feld 280, D-69120 Heidelberg, Germany; Present address: University of Heidelberg, Faculty for Clinical Medicine, Mannheim Medical Research Center, Theodor-Kutzer-Ufer 1-3, D-68135 Mannheim, Germany
3 German Cancer Research Center, Spectroscopic department (B090), Molecular Modelling, Im Neuenheimer Feld 280, D-69120 Heidelberg, Germany
4 German Cancer Research Center, Spectroscopic department (B090), Molecular Modelling, Im Neuenheimer Feld 280, D-69120 Heidelberg, Germany; Present address: Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, NL-3584 CH Utrecht, The Netherlands
Claus-W. von der Lieth, E-mail: w.vonderlieth{at}dkfz.de
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