2mb3

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2mb3, 10 NMR models ()
Ligands:
Resources: FirstGlance, OCA, RCSB, PDBsum
Coordinates: save as pdb, mmCIF, xml


Solution structure of an intramolecular (3+1) human telomeric G-quadruplex bound to a telomestatin derivative

Publication Abstract from PubMed

Guanine-rich human telomeric DNA can adopt secondary structures known as G-quadruplexes, which can be targeted by small molecules to achieve anticancer effects. So far, the structural information on complexes between human telomeric DNA and ligands is limited to the parallel G-quadruplex conformation, despite the high structural polymorphism of human telomeric G-quadruplexes. No structure has been yet resolved for the complex with telomestatin, one of the most promising G-quadruplex-targeting anticancer drug candidates. Here we present the first high-resolution structure of the complex between an intramolecular (3+1) human telomeric G-quadruplex and a telomestatin derivative, the macrocyclic hexaoxazole L2H2-6M(2)OTD. This compound is observed to interact with the G-quadruplex through pi-stacking and electrostatic interactions. This structural information provides a platform for the design of topology-specific G-quadruplex-targeting compounds and is valuable for the development of new potent anticancer drugs.

Solution structure of an intramolecular (3+1) human telomeric G-quadruplex bound to a telomestatin derivative., Chung WJ, Heddi B, Tera M, Iida K, Nagasawa K, Phan AT, J Am Chem Soc. 2013 Aug 2. PMID:23909929

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

About this Structure

2mb3 is a 1 chain structure. Full experimental information is available from OCA.

Reference

  • Chung WJ, Heddi B, Tera M, Iida K, Nagasawa K, Phan AT. Solution structure of an intramolecular (3+1) human telomeric G-quadruplex bound to a telomestatin derivative. J Am Chem Soc. 2013 Aug 2. PMID:23909929 doi:10.1021/ja405843r

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