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TitleUnexpected arene ligand exchange results in the oxidation of an organoruthenium anticancer agent: the first X-ray structure of a protein-Ru(carbene) adduct.
Journal, issue, pagesChem. Commun. (Camb. ), Vol. 54, Page 6120-6123, Year 2018
Publish dateNov 17, 2017 (structure data deposition date)
AuthorsSullivan, M.P. / Nieuwoudt, M.K. / Bowmaker, G.A. / Lam, N.Y.S. / Truong, D. / Goldstone, D.C. / Hartinger, C.G.
External linksChem. Commun. (Camb. ) / PubMed:29713703
MethodsX-ray diffraction
Resolution1.24 - 1.48 Å
Structure data

PDB-6bo1:
Mono-adduct formed after 3 days in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL
Method: X-RAY DIFFRACTION / Resolution: 1.24 Å

PDB-6bo2:
Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL
Method: X-RAY DIFFRACTION / Resolution: 1.48 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-E3D:
dichloro(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)ruthenium

ChemComp-HOH:
WATER

ChemComp-RU:
RUTHENIUM ION

ChemComp-CL:
Unknown entry

Source
  • gallus gallus (chicken)
KeywordsHYDROLASE / metal-based / anticancer / ruthenium / NHC / carbene / lysozyme / metallodrug / benzimidazole / dimethylbenzimidazole

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