PDEStrIAn as interactive online database available @  http://pdestrian.vu-compmedchem.nl

PDEStrIAn: A phosphodiesterase structure and ligand interaction annotated database as a tool for structure-based drug design

Chimed Jansen, Albert J. Kooistra, Georgi K. Kanev, Rob Leurs, Iwan J.P. de Esch, Chris de Graaf

The structure-based PDE-ligand interaction data described, including the processed PDB collection, PDE binding pocket sequence alignment, structurally aligned binding site mol2 files, and the PDE-ligand IFPs, are available from the ZENODO repository (DOI:10.5281/zenodo.45774, https://zenodo.org/record/45774).

The article in its "just accepted" form is available here: http://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.5b01813

This research was performed as part of the "Phosphodiesterase inhibitors for neglected parasitic diseases" (PDE4NPD) programme, which is supported by the European Union 7th Framework Program (FP7/2007-2013) under grant agreement n° 602666.