Article-Journal

Binding Properties of Pyochelin and Structurally Related Molecules to FptA of Pseudomonas aeruginosa

Pyochelin (Pch) is a siderophore that is produced in iron‐limited conditions, by both Pseudomonas aeruginosa and Burkholderia cepacia.

Mislin, G. L. A.

Design of nevirapine derivatives insensitive to the K103N and Y181C HIV-1 reverse transcriptase mutants

Nevirapine (Viramune®) belongs to the first generation of non-nucleoside reverse transcriptase inhibitors (NNRTIs).

Saparpakorn, P.

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.

Development and virtual screening of target libraries

The concomitant development of in silico screening technologies and of three-dimensional information on therapeutically relevant macromolecular targets makes it possible to …

Rognan, D.

Assessing the Scaffold Diversity of Screening Libraries

Medicinal chemists have traditionally realized assessments of chemical diversity and subsequent compound acquisition, although a recent study suggests that experts are usually …

Krier, M.

Probing the Reorganization of the Nicotinic Acetylcholine Receptor during Desensitization by Time-Resolved Covalent Labeling Using [3H]AC5, a Photoactivatable Agonist

The structural reorganizations occurring on the nicotinic acetylcholine receptor (nAChR) during activation and subsequent desensitization have been investigated through …

Mourot, A.

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.

Delineating a Ca2+ Binding Pocket within the Venus Flytrap Module of the Human Calcium-sensing Receptor

The Ca2+-sensing receptor (CaSR) belongs to the class III G-protein-coupled receptors (GPCRs), which include receptors for pheromones, amino acids, sweeteners, and the …

Silve, C.

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.