J Am Chem Soc. 2008 May 28;130(21):6722-4. Epub 2008 May 6.

Structural basis of DNA quadruplex recognition by an acridine drug.

Campbell NH, Parkinson GN, Reszka AP, Neidle S.

Source

Cancer Research UK Biomolecular Structure Group, The School of Pharmacy, University of London, 29-39 Brunswick Square, London WC1N 1AX, United Kingdom.

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

PMID:: 18457389; [PubMed - indexed for MEDLINE]

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Research Support, Non-U.S. Gov't

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Grant Support

C129/A4489/Cancer Research UK/United Kingdom

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Structures reported by this article

A Bimolecular Parallel-Stranded Human Telomeric Quadruplex In Complex With A 3,6,9-Trisubstituted Acridine Molecule Braco19

PDB: 3CE5

Source: synthetic construct

Method: X-Ray Diffraction

Resolution: 2.5 Å

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