Article-Journal

sc-PDB: a database for identifying variations and multiplicity of ‘druggable’ binding sites in proteins

The sc-PDB database is an annotated archive of druggable binding sites extracted from the Protein Data Bank.

Meslamani, J.
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New Insights into the Mechanisms whereby Low Molecular Weight CCR5 Ligands Inhibit HIV-1 Infection

CC chemokine receptor 5 (CCR5) is a G-protein-coupled receptor for the chemokines CCL3, -4, and -5 and a coreceptor for entry of R5-tropic strains of human immunodeficiency virus …

Garcia-Perez, J.
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Identification by high-throughput screening of inhibitors of Schistosoma mansoni NAD+ catabolizing enzyme

Schistosomiasis is a major tropical parasitic disease.

Kuhn, I.
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Binding of Protein Kinase Inhibitors to Synapsin I Inferred from Pair-Wise Binding Site Similarity Measurements

Predicting off-targets by computational methods is getting increasing importance in early drug discovery stages.

Franchi, E. D.
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Alignment-Free Ultra-High-Throughput Comparison of Druggable Protein−Ligand Binding Sites

Inferring the biological function of a protein from its three-dimensional structure as well as explaining why a drug may bind to various targets is of crucial importance to modern …

Weill, N.
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Structure-Based Approaches to Target Fishing and Ligand Profiling

Chemogenomics is an emerging interdisciplinary field aiming at identifying all possible ligands of all possible targets.

Rognan, D.
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Estrogen Receptor Alpha as a Key Target of Red Wine Polyphenols Action on the Endothelium

Background A greater reduction in cardiovascular risk and vascular protection associated with diet rich in polyphenols are generally accepted; however, the molecular targets for …

Chalopin, M.
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Increasing Selectivity of CC Chemokine Receptor 8 Antagonists by Engineering Nondesolvation Related Interactions with the Intended and Off-Target Binding Sites

The metabolic stability and selectivity of a series of CCR8 antagonists against binding to the hERG ion channel and cytochrome Cyp2D6 are studied by principal component analysis.

Shamovsky, I.
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Molecular determinants of non-competitive antagonist binding to the mouse GPRC6A receptor

GPRC6A displays high sequence homology to the Ca2+-sensing receptor (CaSR).

Faure, H.
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Stereospecificity of the Siderophore Pyochelin Outer Membrane Transporters in Fluorescent Pseudomonads

Pyochelin (Pch) and enantio-pyochelin (EPch) are enantiomer siderophores that are produced by Pseudomonas aeruginosa and Pseudomonas fluorescens, respectively, under iron …

Hoegy, F.
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