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Structure paper

TitleX-ray Crystal Structure of a Bisubstrate Inhibitor Bound to the Enzyme Catechol-O-methyltransferase: A Dramatic Effect of Inhibitor Preorganization on Binding Affinity.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 40, Page 4040-4042, Year 2001
Publish dateAug 10, 2001 (structure data deposition date)
AuthorsLerner, C. / Ruf, A. / Gramlich, V. / Masjost, B. / Zurcher, G. / Jakob-Roetne, R. / Borroni, E. / Diederich, F.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:12404486
MethodsX-ray diffraction
Resolution2.63 Å
Structure data

PDB-1jr4:
CATECHOL O-METHYLTRANSFERASE BISUBSTRATE-INHIBITOR COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 2.63 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-CL4:
N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YL]-ALLYL}-2,3-DIHYDROXY-5-NITRO-BENZAMIDE

ChemComp-HOH:
WATER

Source
  • rattus norvegicus (Norway rat)
KeywordsTRANSFERASE / METHYLTRANSFERASE / NEUROTRANSMITTER DEGRADATION / Bisubstrate Inhibitor

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