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TitleAn Accessible Chiral Linker to Enhance Potency and Selectivity of Neuronal Nitric Oxide Synthase Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 5, Page 56-, Year 2014
Publish dateAug 22, 2013 (structure data deposition date)
AuthorsJing, Q. / Li, H. / Roman, L.J. / Martasek, P. / Poulos, T.L. / Silverman, R.B.
External linksAcs Med. Chem. Lett. / PubMed:24660051
MethodsX-ray diffraction
Resolution1.98 - 2.2 Å
Structure data

PDB-4c39:
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy) methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-4c3a:
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy) methyl)pyrrolidin-3-yl)oxy) methyl)-4-methylpyridin-2-amine
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-H4B:
5,6,7,8-TETRAHYDROBIOPTERIN

ChemComp-Q16:
6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine

ChemComp-ACT:
ACETATE ION

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

Source
  • rattus norvegicus (Norway rat)
KeywordsOXIDOREDUCTASE / INHIBITOR COMPLEX

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