title: Structural and Modeling Studies on ecto-5'-nucleotidase Aiding in Inhibitor Design.
abstract: Ecto-5'-nucleotidase (e5NT) hydrolyzes extracellular nucleotides and contributes to purinergic signaling. e5NT is implicated in a variety of pathological states including immunological diseases and cancer and represents an emerging drug target. Herein, we review structural and computational studies that have helped to better understand ligand binding characteristics and mechanistic features of the enzyme and led to the identification of new classes of e5NT inhibitors.
authors.forename: Norbert
authors.initials: N
authors.lastname: Furtmann
authors.affiliation: Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universitat, Dahlmannstr. 2, D-53113 Bonn, Germany. bajorath@bit.uni-bonn.de.
authors.forename: Jurgen
authors.initials: J
authors.lastname: Bajorath
mesh_terms: D015720:5'-Nucleotidase / Q000037:antagonists & inhibitors* / Q000378:metabolism; D018360:Crystallography, X-Ray; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000737:chemistry / Q000494:pharmacology*; D006801:Humans; D008024:Ligands; D008958:Models, Molecular; D011487:Protein Conformation; D013329:Structure-Activity Relationship; D013451:Sulfonic Acids / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D004791:Enzyme Inhibitors; D008024:Ligands; D013451:Sulfonic Acids; D015720:5'-Nucleotidase