Structural highlights
3nyp is a 2 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
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| Ligands: | , |
| Related: | 1jpq, 1jrn, 1l1h, 3ce5, 3em2, 3eqw, 3eru, 3es0, 3et8, 3eui, 3eum, 3nz7 |
| Resources: | FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT |
Publication Abstract from PubMed
Comparative X-ray structure studies reveal that C-F bond incorporation into the peripheral pyrrolidine moieties of the G-quadruplex DNA binding ligand BSU6039 leads to a distinct pyrrolidine ring conformation, relative to the non-fluorinated analogue, and with a different binding mode involving reversal of the pyrrolidinium N(+)-H orientation.
Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.,Campbell NH, Smith DL, Reszka AP, Neidle S, O'Hagan D Org Biomol Chem. 2011 Mar 7;9(5):1328-31. Epub 2011 Jan 10. PMID:21221451[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Campbell NH, Smith DL, Reszka AP, Neidle S, O'Hagan D. Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA. Org Biomol Chem. 2011 Mar 7;9(5):1328-31. Epub 2011 Jan 10. PMID:21221451 doi:10.1039/c0ob00886a
