EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
ジャーナル・号・ページ	J. Med. Chem., Vol. 60, Page 7146-7165, Year 2017
掲載日	2017年5月19日 (構造データの登録日)
著者	Pensa, A.V. / Cinelli, M.A. / Li, H. / Chreifi, G. / Mukherjee, P. / Roman, L.J. / Martasek, P. / Poulos, T.L. / Silverman, R.B.
リンク	J. Med. Chem. / PubMed:28776992
手法	X線回折
解像度	1.745 - 2.55 Å
構造データ	PDB-5vui: Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-Fluorophenyl)amino)methyl)quinolin-2-amine Dihydrochloride 手法: X-RAY DIFFRACTION / 解像度: 2.06 Å PDB-5vuj: Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.952 Å PDB-5vuk: Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-5vul: Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)phenethyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-5vum: Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5vun: Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methylpyridin-3-yl)propyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.745 Å PDB-5vuo: Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methoxypyridin-3-yl)propyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-5vup: Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(5-Fluoropyridin-3-yl)propyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.94 Å PDB-5vuq: Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.002 Å PDB-5vur: Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-5vus: Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-chlorobenzonitrile 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-5vut: Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-5vuu: Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-5vuv: Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-Fluorophenyl)amino)methyl)quinolin-2-amine Dihydrochloride 手法: X-RAY DIFFRACTION / 解像度: 1.983 Å PDB-5vuw: Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-5vux: Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5vuy: Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)phenethyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.154 Å PDB-5vuz: Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-5vv0: Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methylpyridin-3-yl)propyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-5vv1: Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methoxypyridin-3-yl)propyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-5vv2: Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(5-Fluoropyridin-3-yl)propyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-5vv3: Structure of human neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.18 Å PDB-5vv4: Structure of human neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5vv5: Structure of human neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-5vv6: Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)phenethyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-5vv7: Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5vv8: Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-5vv9: Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-5vva: Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-5vvb: Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-5vvc: Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-5vvd: Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-5vvg: Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-chlorobenzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5vvn: Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)benzonitrile 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å
化合物	ChemComp-HEM: PROTOPORPHYRIN IX CONTAINING FE ChemComp-H4B: 5,6,7,8-TETRAHYDROBIOPTERIN / 6R-テトラヒドロビオプテリン / 神経伝達物質YM ChemComp-M62: 7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine ChemComp-ACT: ACETATE ION / 酢酸イオン ChemComp-ZN: Unknown entry ChemComp-HOH: WATER ChemComp-JHT: 7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine ChemComp-9P1: 7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine ChemComp-P64: 7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine ChemComp-XH8: 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2- ChemComp-9OM: 7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine ChemComp-MTL: D-MANNITOL / マンニト-ル / 薬剤YM ChemComp-9OS: 7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine ChemComp-9P4: 7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine ChemComp-P94: 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile ChemComp-9P7: 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile ChemComp-9PM: 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile ChemComp-9OG: 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile ChemComp-9OJ: 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-BME: BETA-MERCAPTOETHANOL / 2-メルカプトエタノ-ル ChemComp-CAD: CACODYLIC ACID / ジメチルアルシン酸 ChemComp-BTB: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / ビストリス / pH緩衝剤YM ChemComp-GD: GADOLINIUM ATOM / ガドリニウム ChemComp-CL*: Unknown entry / クロリド
由来	rattus norvegicus (ドブネズミ) homo sapiens (ヒト) bos taurus (ウシ)
キーワード	OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / nitric oxide synthase / inhibitor complex / heme enzyme / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex / Oxidoreductase/Inhibitor / Oxidoreductase-Inhibitor complex / nitric oxide synthase inhibitor complex / nitric oxide synthase inhibitor / complex heme enzyme