PDB-Ligand

PDB-Ligand is a three dimensional structure database of small molecular ligands that are bound to larger biomolecules deposited in the Protein Data Bank (PDB). One unique feature of PDB-Ligand is that one can browse, classify, superimpose, and visualize the interactions between ligands and proteins. Currently, there are about 5,000 types of small molecular ligands, experimentally determined as a complex with protein or DNA in PDB. PDB-Ligand serves as an interactive structural analysis and clustering tool for all the ligand-binding structures in PDB. PDB-Ligand also provides an easier way to obtain a number of different structure alignments of many related ligand-binding structures based on simple and flexible ligand clustering method. PDB-Ligand will be a good resource both for the better interpretation of ligand-binding structures and for the development of better scoring functions to be used in many drug discovery applications. PDB-Ligand is freely accessible through the URL at http://www.idrtech.com/PDB-Ligand/.

Webpage:
http://www.idrtech.com/PDB-Ligand/

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structure small molecule

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