RELIBASE at EBI on URL
http://www2.ebi.ac.uk:8081/home.html
( manfred email: hendlich at pharmazie.uni-marburg.de)
Relibase by Manfred Hendlich is the first web based non-commercial service that
can access the PDB by true 2D search queries, on the 3D database.
3D queries are being developed now. However, results of the searches
are delivered in 3D via VRML options that can display the requested
interactions.
RELIBase is an archive for structural data about receptor/ligand
complexes.
The main purpose of RELIBase is to provide an selective and efficient
access to the receptor/ligand complexes currently deposited in the
Brookhaven Protein Databank (PDB) and to make
the enormous wealth of information contained in the
receptor/ligand structures available for structure based drug design
studies.
The www public accss relibase data base and search tools can
be used to input a sub-structure search object either by text,
a smiles string, or by an interactive java based molecule editor,
and the system can perform the following functions:
Fast identification of all ligands which contain a
specific functional group
Identification of receptor/ligand complexes with specific
spatial interactions
Analysis of interaction preferences of functional groups.
Mutations.
Protein modifications.
Cross links to several protein sequence databases and
the Beilstein Database of small molecules (not available on the WWW).
