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Structure paper

TitleIdentification of AHCY inhibitors using novel high-throughput mass spectrometry.
Journal, issue, pagesBiochem. Biophys. Res. Commun., Vol. 491, Page 1-7, Year 2017
Publish dateJun 9, 2017 (structure data deposition date)
AuthorsUchiyama, N. / Dougan, D.R. / Lawson, J.D. / Kimura, H. / Matsumoto, S.I. / Tanaka, Y. / Kawamoto, T.
External linksBiochem. Biophys. Res. Commun. / PubMed:28533090
MethodsX-ray diffraction
Resolution2.4 - 2.65 Å
Structure data

PDB-5w49:
The crystal structure of human S-adenosylhomocysteine hydrolase (AHCY) bound to oxadiazole inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-5w4b:
The crystal structure of human S-adenosylhomocysteine hydrolase (AHCY) bound to benzothiazole inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-9W1:
(4-amino-1,2,5-oxadiazol-3-yl)[(3R)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone

ChemComp-HOH:
WATER

ChemComp-9W4:
4-[(2,5-dioxo-2,5-dihydro-1H-imidazol-1-yl)methyl]-N-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex

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