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Structure paper

TitleTight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 4203-4212, Year 2018
Publish dateMar 5, 2018 (structure data deposition date)
AuthorsReis, J. / Manzella, N. / Cagide, F. / Mialet-Perez, J. / Uriarte, E. / Parini, A. / Borges, F. / Binda, C.
External linksJ. Med. Chem. / PubMed:29648817
MethodsX-ray diffraction
Resolution1.6 - 1.8 Å
Structure data

PDB-6fvz:
Crystal structure of human monoamine oxidase B (MAO B) in complex with dimethylphenyl-chromone-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6fw0:
Crystal structure of human monoamine oxidase B (MAO B) in complex with chlorophenyl-chromone-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-6fwc:
Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

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

ChemComp-E8Z:
~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide

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

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-E92:
~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide

ChemComp-E98:
~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide

Source
  • homo sapiens (human)
KeywordsFLAVOPROTEIN / Parkinson's disease / drug design / chromone / inhibitor

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