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TitleDiscovery of Tetrahydrobiopterin Displacing Potent Neuronal Nitric Oxide Synthase Inhibitor with Unprecedented Binding Mode: Synthesis, Biochemical Evaluation, and Structural Characterization
Journal, issue, pagesTo Be Published
Publish dateMay 29, 2024 (structure data deposition date)
AuthorsWeerawarna, P.M. / Rathnayaka, A.D. / Li, H. / Lewis, M. / Poulos, T.L. / Silverman, R.B.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2 - 2.3 Å
Structure data

PDB-9c1y:
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-((3-(((4-(6-aminopyridin-2-yl)butyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-9c1z:
Structure of human endothelial nitric oxide synthase heme domain in complex with 7-((3-(((4-(6-aminopyridin-2-yl)butyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-V5D:
7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

ChemComp-GOL:
GLYCEROL

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-BTB:
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-CL:
Unknown entry

ChemComp-GD:
GADOLINIUM ATOM

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / nitric oxide synthase inhibitor / heme enzyme / nitric oxide synthase inhibitor heme enzymes

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