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Structure paper

TitleSmall-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 135, Page 1369-1377, Year 2013
Publish dateSep 28, 2011 (structure data deposition date)
AuthorsWei, D. / Wilson, W.D. / Neidle, S.
External linksJ. Am. Chem. Soc. / PubMed:23276263
MethodsX-ray diffraction
Resolution1.24 - 1.27 Å
Structure data

PDB-3u05:
Crystal structure of DB1804-D(CGCGAATTCGCG)2 complex
Method: X-RAY DIFFRACTION / Resolution: 1.27 Å

PDB-3u08:
Crystal structure of DB1963-D(CGCGAATTCGCG)2 complex at 1.25 A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-3u0u:
Crystal structure of the DB1883-D(CGCGAATTCGCG)2 complex at 1.24 A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.24 Å

PDB-3u2n:
Crystal structure of DNA(CGCGAATTCGCG)2 at 1.25 angstroms
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-804:
6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole

ChemComp-HOH:
WATER

ChemComp-D63:
4'-(5-carbamimidoyl-1H-benzimidazol-2-yl)biphenyl-4-carboxamide

ChemComp-D83:
2-(4'-carbamimidoylbiphenyl-4-yl)-1H-indole-6-carboximidamide

KeywordsDNA / A2T2 / Dickerson and Drew dodecamer / double helix / DNA minor groove-ligand complex / DNA minor groove binder / DB1804 / MG2+ / DNA minor groove-ligand binder / DB1963 / MINOR GROOVE / DB1883

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