Kellenberger, E.

A simple and fuzzy method to align and compare druggable ligand-binding sites

A novel method to measure distances between druggable protein cavities is presented.

Schalon, C.

Identification of Nonpeptide CCR5 Receptor Agonists by Structure-based Virtual Screening

A three-dimensional model of the chemokine receptor CCR5 has been built to fulfill structural peculiarities of its α-helix bundle and to distinguish known CCR5 antagonists from …

Kellenberger, E.

Redesign of Schistosoma mansoni NAD+ Catabolizing Enzyme: Active Site H103W Mutation Restores ADP-Ribosyl Cyclase Activity

Schistosoma mansoni NAD(P)+ catabolizing enzyme (SmNACE) is a new member of the ADP-ribosyl cyclase family.

Kuhn, I.

sc-PDB:  an Annotated Database of Druggable Binding Sites from the Protein Data Bank

The sc-PDB is a collection of 6 415 three-dimensional structures of binding sites found in the Protein Data Bank (PDB).

Kellenberger, E.

A chemogenomic analysis of the transmembrane binding cavity of human G-protein-coupled receptors

The amino acid sequences of 369 human nonolfactory G-protein-coupled receptors (GPCRs) have been aligned at the seven transmembrane domain (TM) and used to extract the nature of 30 …

Surgand, J.

Production of Calcium-Mobilizing Metabolites by a Novel Member of the ADP-Ribosyl Cyclase Family Expressed in Schistosoma mansoni,

ADP-ribosyl cyclases are structurally conserved enzymes that are best known for catalyzing the production of the calcium-mobilizing metabolite, cyclic adenosine diphosphate ribose …

Goodrich, S. P.

Dynamics and Metal Exchange Properties of C4C4 RING Domains from CNOT4 and the p44 Subunit of TFIIH

Zinc fingers are small structured protein domains that require the coordination of zinc for a stable tertiary fold.

Houben, K.

Solution Structure of the C-terminal Domain of TFIIH P44 Subunit Reveals a Novel Type of C4C4 Ring Domain Involved in Protein-Protein Interactions

The human general transcription factor TFIIH is involved in both transcription and DNA nucleotide excision repair.

Kellenberger, E.

Structure of the His44 → Ala Single Point Mutant of the Distal Finger Motif of HIV-1 Nucleocapsid Protein:  A Combined NMR, Molecular Dynamics Simulation, and Fluorescence Study

The nucleocapsid protein (NCp7) of human immunodeficiency virus type 1 (HIV-1) contains two highly conserved CCHC zinc fingers that strongly bind Zn2+ through coordination of one …

Stote, R. H.

Recovering the true targets of specific ligands by virtual screening of the protein data bank

The Protein Data Bank (PDB) has been processed to extract a screening protein library (sc-PDB) of 2148 entries.

Paul, N.