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Structure paper

TitleTargeting the DNA minor groove with fused ring dicationic compounds: Comparison of in silico screening and a high-resolution crystal structure.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 15-19, Year 2006
Publish dateSep 20, 2005 (structure data deposition date)
AuthorsCampbell, N.H. / Evans, D.A. / Lee, M.P. / Parkinson, G.N. / Neidle, S.
External linksBioorg. Med. Chem. Lett. / PubMed:16263285
MethodsX-ray diffraction
Resolution1.36 Å
Structure data

PDB-2b3e:
Crystal structure of DB819-D(CGCGAATTCGCG)2 complex.
Method: X-RAY DIFFRACTION / Resolution: 1.36 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-DBN:
6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE

ChemComp-HOH:
WATER

KeywordsDNA / NUCLEIC ACIDS / DOUBLE HELIX / MINOR GROOVE / DNA MINOR / GROOVE BINDER / DNA MINOR GROOVE-LIGAND COMPLEX / DB819 / A2T2 / DICKERSON AND DREW DODECAMER / CRYSTAL STRUCTURE OF B-DNA / DNA-DRUG COMPLEX / MAGNESIUM-WATER COMPLEX / HYDRATED MAGNESIUM / DNA HYDRATION.

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