title: Antibacterial properties and atomic resolution X-ray complex crystal structure of a ruthenocene conjugated β-lactam antibiotic.
abstract: We have determined a 1.18 Å resolution X-ray crystal structure of a novel ruthenocenyle-6-aminopenicillinic acid in complex with CTX-M β-lactamase, showing unprecedented details of interactions between ruthenocene and protein. As the first product complex with an intact catalytic serine, the structure also offers insights into β-lactamase catalysis and inhibitor design.
authors.affiliation: Department of Molecular Medicine, University of South Florida, Tampa, Florida 33612, USA. ychen1@health.usf.edu.
authors.forename: Eric M
authors.initials: EM
authors.lastname: Lewandowski
authors.forename: Joanna
authors.initials: J
authors.lastname: Skiba
authors.forename: Nicholas J
authors.initials: NJ
authors.lastname: Torelli
authors.forename: Aleksandra
authors.initials: A
authors.lastname: Rajnisz
authors.forename: Jolanta
authors.initials: J
authors.lastname: Solecka
authors.forename: Konrad
authors.initials: K
authors.lastname: Kowalski
authors.forename: Yu
authors.initials: Y
authors.lastname: Chen
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D018360:Crystallography, X-Ray; D016983:Enterococcus / Q000187:drug effects*; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D008968:Molecular Conformation; D009942:Organometallic Compounds / Q000737:chemistry / Q000494:pharmacology*; D013210:Staphylococcus / Q000187:drug effects*; D001618:beta-Lactamases / Q000378:metabolism; D047090:beta-Lactams / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D000900:Anti-Bacterial Agents; D009942:Organometallic Compounds; D047090:beta-Lactams; C016721:ruthenocene; D001618:beta-Lactamases