title: Geometry of GPPE binding to picrate and to the urokinase type plasminogen activator.
abstract: Crystal structure of 2-(4-guanidynephenyl)-1-phenyl-ethanone (GPPE) in two different environments was determined in order to compare the binding geometry of these compound to a simple picrate anion and to protein, urokinase-type plasminogen activator (uPA), which may be treated as a target for anti-cancer drugs. It was shown that the conformation and the hydrogen-bonding formation by GPPE molecule are similar in both environments, but several important differences were discovered and described.
authors: Department of Chemistry, Pedagogical University, ul. Podchorazych 2, 30-084 Kraków, Poland.
authors: Ewa
authors: E
authors: Zesławska
authors: Jörg
authors: J
authors: Stürzebecher
authors: Barbara J
authors: BJ
authors: Oleksyn
mesh_terms: D000838:Anions; D001665:Binding Sites / Q000187:drug effects; D018360:Crystallography, X-Ray; D006146:Guanidines / Q000737:chemistry* / Q000378:metabolism; D006860:Hydrogen Bonding; D008958:Models, Molecular; D015394:Molecular Structure; D010851:Picrates / Q000737:chemistry* / Q000378:metabolism; D011485:Protein Binding; D017434:Protein Structure, Tertiary; D014568:Urokinase-Type Plasminogen Activator / Q000737:chemistry* / Q000378:metabolism
chemical_list: C527751:2-(4-guanidynephenyl)-1-phenyl-ethanone; D000838:Anions; D006146:Guanidines; D010851:Picrates; C005858:picric acid; D014568:Urokinase-Type Plasminogen Activator