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TitleA fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 5459-5463, Year 2014
Publish dateMar 15, 2014 (structure data deposition date)
AuthorsLanier, M. / Ambrus, G. / Cole, D.C. / Davenport, R. / Ellery, J. / Fosbeary, R. / Jennings, A.J. / Kadotani, A. / Kamada, Y. / Kamran, R. ...Lanier, M. / Ambrus, G. / Cole, D.C. / Davenport, R. / Ellery, J. / Fosbeary, R. / Jennings, A.J. / Kadotani, A. / Kamada, Y. / Kamran, R. / Matsumoto, S. / Mizukami, A. / Okubo, S. / Okada, K. / Saikatendu, K. / Walsh, L. / Wu, H. / Hixon, M.S.
External linksJ. Med. Chem. / PubMed:24847974
MethodsX-ray diffraction
Resolution2.06 Å
Structure data

PDB-4p58:
Crystal structure of mouse comt bound to an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

Chemicals

ChemComp-2F6:
1',3'-dimethyl-1H,1'H-3,4'-bipyrazole

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / SAM binding site / TRANSFERASE-TRANSFERASE INHIBITOR complex

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