title: Structural basis of DNA quadruplex recognition by an acridine drug.
abstract: The crystal structure of a complex between the bimolecular human telomeric quadruplex d(TAGGGTTAGGGT)2 and the experimental anticancer drug BRACO-19, has been determined, to 2.5 A resolution. The binding site for the BRACO-19 molecule is at the interface of two parallel-folded quadruplexes, sandwiched between a G-tetrad surface and a TATA tetrad, and held in the site by networks of water molecules. The structure rationalizes the existing structure-activity data and provides a starting-point for the structure-based design of quadruplex-binding ligands
authors.affiliation: Cancer Research UK Biomolecular Structure Group, The School of Pharmacy, University of London, 29-39 Brunswick Square, London WC1N 1AX, United Kingdom.
authors.forename: Nancy H
authors.initials: NH
authors.lastname: Campbell
authors.forename: Gary N
authors.initials: GN
authors.lastname: Parkinson
authors.forename: Anthony P
authors.initials: AP
authors.lastname: Reszka
authors.forename: Stephen
authors.initials: S
authors.lastname: Neidle
mesh_terms: D000166:Acridines / Q000737:chemistry*; D001665:Binding Sites; D018360:Crystallography, X-Ray; D004247:DNA / Q000737:chemistry*; D054856:G-Quadruplexes; D006801:Humans; D008958:Models, Molecular; D016385:TATA Box; D016615:Telomere / Q000737:chemistry
chemical_list: D000166:Acridines; D004247:DNA; C454064:BRACO-19