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TitleHigh-Affinity Alkynyl Bisubstrate Inhibitors of NicotinamideN-Methyltransferase (NNMT).
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 9837-9873, Year 2019
Publish dateApr 30, 2019 (structure data deposition date)
AuthorsPolicarpo, R.L. / Decultot, L. / May, E. / Kuzmic, P. / Carlson, S. / Huang, D. / Chu, V. / Wright, B.A. / Dhakshinamoorthy, S. / Kannt, A. ...Policarpo, R.L. / Decultot, L. / May, E. / Kuzmic, P. / Carlson, S. / Huang, D. / Chu, V. / Wright, B.A. / Dhakshinamoorthy, S. / Kannt, A. / Rani, S. / Dittakavi, S. / Panarese, J.D. / Gaudet, R. / Shair, M.D.
External linksJ. Med. Chem. / PubMed:31589440
MethodsX-ray diffraction
Resolution2.25 Å
Structure data

PDB-6orr:
Co-crystal structure of human NicotinamideN-Methyltransferase (NNMT) in complex with High-Affinity Alkynyl Bisubstrate Inhibitor NS1
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-N37:
9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / methyltransferase nicotinamide / alkynyl bisubstrate inhibitor / alkyne linker methyltransferase inhibitor / high-affinity alkynyl nucleoside / SAM slow-binding inhibition / tight-binding inhibition / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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