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Relibase specifications


Unique identifier OMICS_24684
Name Relibase
Restrictions to use Academic or non-commercial use
Community driven No
Data access Browse
User data submission Not allowed
Version 3.2.3
Registration required Yes
Maintained No


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Publications for Relibase

Relibase citations


A systematic analysis of atomic protein–ligand interactions in the PDB† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7md00381a

PMCID: 5708362
PMID: 29308120
DOI: 10.1039/c7md00381a

[…] ased design and optimization of drugs.Several approaches have been developed for large-scale analysis of protein–small molecule interactions, such as SuperStar, or the method implemented to build the Relibase database., PDBeMotif and the recently published PELIKAN are two examples of free tools that can search for patterns in large collections of protein–ligand interfaces. Structural interaction f […]


Mapping the 3D structures of small molecule binding sites

J Cheminform
PMCID: 5395517
DOI: 10.1186/s13321-016-0180-0

[…] l for probing the three-dimensional structural relationships between biological macromolecules [, ]. Tools that aim to provide an assessment of similarity between protein–ligand binding sites include Relibase, a database of known protein–ligand binding sites []; the sc-PDB, an annotated database of druggable binding sites from the PDB []; and the Pocketome, an encyclopedia of conformational ensemb […]


Domain based small molecule binding site annotation

BMC Bioinformatics
PMCID: 1435939
PMID: 16545112
DOI: 10.1186/1471-2105-7-152

[…] nger', and a link to the PDB file 1WJB, which is an NMR structure of the N-terminal domain of this protein with two bound zinc ions. However, no zinc binding sites are indicated in the record itself. Relibase [] is able to provide small molecule binding site predictions for given query sequences based on interactions observed from PDB. However it makes no attempt to filter out biologically irrelev […]


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Relibase institution(s)
Institute for Pharmaceutical Chemistry, Philipps-University of Marburg, Marburg, Germany; Lion Bioscience ChemInformatics, Heidelberg, Germany; Cambridge Crystallographic Data Centre, Cambridge, UK
Relibase funding source(s)
Supported by the German Minister of Science and Education in the framework of the ReLiMo project (grant no. 0311619).

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