PDEStrIAn specifications


Unique identifier OMICS_14155
Name PDEStrIAn
Alternative name PhosphoDiEsterase Structure and ligand Interaction Annotated database
Restrictions to use None
Community driven No
Data access File download, Browse
User data submission Not allowed
Version 1.0
Maintained Yes


  • person_outline Chris de Graaf

Publication for PhosphoDiEsterase Structure and ligand Interaction Annotated database

PDEStrIAn citation


Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure Based Discovery of Selective Inhibitors with Trypanocidal Activity

J Med Chem
PMCID: 5949723
PMID: 29672041
DOI: 10.1021/acs.jmedchem.7b01670

[…] inement cycle on Cα carbons with the align function as implemented in PyMOL (The PyMOL Molecular Graphics System, Schrödinger, LLC). All binding site residues have been named according to the PDEStrIAn nomenclature system (http://pdestrian.vu-compmedchem.nl/). Structural figures were prepared with PyMOL For clarity, selected residues from the helix capping the substrate binding po […]

PDEStrIAn institution(s)
Division of Medicinal Chemistry, Faculty of Sciences, Amsterdam Institute of Molecules,Medicines and Systems, Vrije Universiteit Amsterdam, Amsterdam, Netherlands
PDEStrIAn funding source(s)
This work was supported by TI Pharma grant T4-302 and the European Commission 7th Framework Programme FP7-HEALTH-2013-INNOVATION-1, PDE4NPD (No. 602666).

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