We have created a subset of the Protein Data Bank (PDB), containing
every high-quality example of ligand-protein binding. Hence, we call
it the Mother of All Databases (MOAD).
Binding MOAD's goal is to be the largest collection of well resolved
protein crystal structures with clearly identified biologically relevant
ligands annotated with experimentally determined binding data
extracted from literature.
We've searched through the primary reference of each
PDB entry looking for Kd, Ki, and IC50 data.
If we've got something wrong or if you have something to add,
Please let us know - we'll correct it, and give you credit.
Binding MOAD currently contains:
18,764 Protein-Ligand Structures
6,311 Structures with Binding Data
9,048 Different Ligands
See the download area to get just the new structures for 2011. Note: the associated .csv file only has ligand and binding data.
We have gone through all the single HET group ligands and updated the SMILES to the current PDB Component Dictionary OpenEye Cannonical form.