9MYW image
Deposition Date 2025-01-22
Release Date 2025-12-03
Last Version Date 2026-04-01
Entry Detail
PDB ID:
9MYW
Keywords:
OXIDOREDUCTASE
Title:
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound 2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(2-aminoethyl)phenol
Biological Source:
Source Organism(s):
Homo sapiens (Taxon ID: 9606)
Expression System(s):
Escherichia coli bl21(de3)
Method Details:
Experimental Method:
X-RAY DIFFRACTION
Resolution:
2.31 Å
R-Value Free:
0.24
R-Value Work:
0.18
R-Value Observed:
0.18
Space Group:
P 1 21 1
9MYW validation report
Macromolecular Entities
Structures with similar UniProt ID
Protein Blast
Polymer Type:polypeptide(L)
Molecule:Nitric oxide synthase, brain
Gene (Uniprot):NOS1
Mutagens:R354A, G357D
Chain IDs:A, B, C, D
Chain Length:423
Number of Molecules:4
Biological Source:Homo sapiens
UniProt ID:P29475 Pfam ID:PF02898 EC:1.14.13.39
Ligand Molecules
A1BUH
GOL
H4B
HEM
ZN
Primary Citation
Enhancement of Potency and Selectivity of 2-Aminoquinoline-Based Human Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem. 69 3779 3795 (2026)
PMID: 41635994 DOI: 10.1021/acs.jmedchem.5c01679
Primary Citation of related structures
9MYW
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