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TitlePromising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 12, Page 1151-1158, Year 2021
Publish dateNov 23, 2020 (structure data deposition date)
AuthorsIacovino, L.G. / Pinzi, L. / Facchetti, G. / Bortolini, B. / Christodoulou, M.S. / Binda, C. / Rastelli, G. / Rimoldi, I. / Passarella, D. / Di Paolo, M.L. / Dalla Via, L.
External linksAcs Med. Chem. Lett. / PubMed:34262643
MethodsX-ray diffraction
Resolution2.1 - 2.3 Å
Structure data

PDB-7b0v:
Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7b0z:
Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-SKB:
(E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one

ChemComp-C15:
N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-SK5:
(E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one

Source
  • homo sapiens (human)
KeywordsFLAVOPROTEIN / monoamine oxidase / drug target / neurodegeneration / flavin / chalcone / mitochondrial membrane

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