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Structure paper

TitleDrug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Journal, issue, pagesBioorg. Med. Chem., Vol. 68, Page 116861-116861, Year 2022
Publish dateNov 24, 2020 (structure data deposition date)
AuthorsOgbonna, E.N. / Paul, A. / Ross Terrell, J. / Fang, Z. / Chen, C. / Poon, G.M.K. / Boykin, D.W. / Wilson, W.D.
External linksBioorg. Med. Chem. / PubMed:35661929
MethodsX-ray diffraction
Resolution1.37 - 1.6 Å
Structure data

PDB-7ku4:
DNA-DB818 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB818).
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7kwk:
DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

Chemicals

ChemComp-D1B:
2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-X8V:
2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide

Source
  • homo sapiens (human)
KeywordsDNA / DNA-molecule complex

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