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Structure paper

TitleFluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.
Journal, issue, pagesOrg. Biomol. Chem., Vol. 9, Page 1328-1331, Year 2011
Publish dateJul 15, 2010 (structure data deposition date)
AuthorsCampbell, N.H. / Smith, D.L. / Reszka, A.P. / Neidle, S. / O'Hagan, D.
External linksOrg. Biomol. Chem. / PubMed:21221451
MethodsX-ray diffraction
Resolution1.1 - 1.179 Å
Structure data

PDB-3nyp:
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains
Method: X-RAY DIFFRACTION / Resolution: 1.179 Å

PDB-3nz7:
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

Chemicals

ChemComp-K:
Unknown entry

ChemComp-RNR:
3,6-bis(3-(3'-(R)-fluoropyrrolindino)propionamido)acridine

ChemComp-HOH:
WATER

ChemComp-SNS:
3,6-bis(3-(3'-(S)-fluoropyrrolindino)propionamido)acridine

KeywordsDNA / QUADRUPLEX / OXTYRICHA NOVA / BSU-6039 / BSU6039 / ANTI-PARALLEL / BIMOLECULAR / MACROMOLECULE / G-QUADRUPLEX / TELOMERE / ACRIDINE / FLUORINATION

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