ISDA: 9MZ3

Deposition Date 2025-01-22

Release Date 2025-12-03

Last Version Date 2026-04-01

Entry Detail

PDB ID:

9MZ3

Keywords:

OXIDOREDUCTASE

Title:

Structure of human endothelial nitric oxide synthase 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:

1.95 Å

R-Value Free:

0.24

R-Value Work:

0.20

R-Value Observed:

0.20

Space Group:

P 1 21 1

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Macromolecular Entities

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:Nitric oxide synthase, endoth
Gene (Uniprot):NOS3
Chain IDs:A, B, C, D
Chain Length:440
Number of Molecules:4
Biological Source:Homo sapiens

UniProt ID:P29474 Pfam ID:PF02898 EC:1.14.13.39

Ligand Molecules

A1BUH

ACT

BTB

GOL

H4B

HEM

Primary Citation

Enhancement of Potency and Selectivity of 2-Aminoquinoline-Based Human Neuronal Nitric Oxide Synthase Inhibitors.

Ansari, A, Kang, K.M, Li, H, Hardy, C.D, Rathnayake, A.D, Awasthi, A, Poulos, T.L, Silverman, R.B.Show

J.Med.Chem. 69 3779 3795 (2026)

PMID: 41635994 DOI: 10.1021/acs.jmedchem.5c01679

Primary Citation of related structures

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