Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
PDB-5unr: Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å
PDB-5uns: Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å
PDB-5unt: Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-7-[(3-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å
PDB-5unu: Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å
PDB-5unv: Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-7-[3-((methylamino)methyl)phenethyl]quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2 Å
PDB-5unw: Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-((methylamino)methyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.044 Å
PDB-5unx: Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å
PDB-5uny: Structure of rat neuronal nitric oxide synthase heme domain in complex with (RS)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 1.82 Å
PDB-5unz: Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å
PDB-5uo0: Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å
PDB-5uo1: Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å
PDB-5uo2: Structure of human neuronal nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.947 Å
PDB-5uo3: Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å
PDB-5uo4: Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2 Å
PDB-5uo5: Structure of human neuronal nitric oxide synthase heme domain in complex with (RS)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2 Å
PDB-5uo6: Structure of human neuronal nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å
PDB-5uo7: Structure of human neuronal nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.06 Å
PDB-5uo8: Structure of human endothelial nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.18 Å
PDB-5uo9: Structure of human endothelial nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.19 Å
PDB-5uoa: Structure of human endothelial nitric oxide synthase heme domain in complex with 3-[(2-Amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å
PDB-5uob: Structure of human endothelial nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.292 Å
PDB-5uoc: Structure of human endothelial nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å
PDB-5uod: Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-[(2-Amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å