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Structure paper

TitleNovel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for NicotinamideN-Methyltransferase.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 10783-10797, Year 2019
Publish dateJul 20, 2019 (structure data deposition date)
AuthorsChen, D. / Li, L. / Diaz, K. / Iyamu, I.D. / Yadav, R. / Noinaj, N. / Huang, R.
External linksJ. Med. Chem. / PubMed:31724854
MethodsX-ray diffraction
Resolution2.3 - 2.575 Å
Structure data

PDB-6pve:
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor LL319
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6pvs:
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor LL320
Method: X-RAY DIFFRACTION / Resolution: 2.575 Å

Chemicals

ChemComp-OZP:
9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine

ChemComp-HOH:
WATER

ChemComp-P0V:
9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE Inhibitor / Methyltransferase / Inhibitor / TRANSFERASE / TRANSFERASE-TRANSFERASE Inhibitor complex

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