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Structure paper

TitleFunctional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast.
Journal, issue, pagesNucleic Acids Res., Vol. 45, Page 8378-8391, Year 2017
Publish dateJul 15, 2016 (structure data deposition date)
AuthorsMillan, C.R. / Acosta-Reyes, F.J. / Lagartera, L. / Ebiloma, G.U. / Lemgruber, L. / Nue Martinez, J.J. / Saperas, N. / Dardonville, C. / de Koning, H.P. / Campos, J.L.
External linksNucleic Acids Res. / PubMed:28637278
MethodsX-ray diffraction
Resolution1.25 - 1.43 Å
Structure data

PDB-5lit:
Structure of the DNA duplex d(AAATTT)2 with the potential antiparasitic drug 6XV at 1.25 A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-6gim:
Structure of the DNA duplex d(AAATTT)2 with [N-(3-chloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-4-((4,5-dihydro-1H-imidazol-2- yl)amino)benzamide] - (drug JNI18)
Method: X-RAY DIFFRACTION / Resolution: 1.43 Å

Chemicals

ChemComp-6XV:
4-((4,5-dihydro-1H-imidazol-2-yl)amino)-N-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-EZK:
[4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium

Source
  • synthetic construct (others)
  • trypanosoma brucei (eukaryote)
KeywordsDNA / All AT DNA / Antiparasitic Drug / Minor Groove Binding Drug / AT-rich DNA / DNA binding drugs / Minor groove binding drugs / antiparasitic drugs / Trypanosoma brucei

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