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	Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors
ジャーナル・号・ページ	To Be Published
掲載日	2025年8月20日 (構造データの登録日)
著者	Ansari, A. / Chrzanowski, R.T. / Li, H. / Hardy, C.D. / Poulos, T.L. / Silverman, R.B.
リンク	PubMedで検索
手法	X線回折
解像度	1.8 - 2.3 Å
構造データ	PDB-9q4g: Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound 6-((5-(2-(dimethylamino)ethyl)-2,3-difluorophenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-9q4h: Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((2,3-difluoro-5-(2-(methylamino)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å PDB-9q4i: Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((5-(2-(ethyl(methyl)amino)ethyl)-2,3-difluorophenxy)methyl)-4-methylphridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.09 Å PDB-9q4j: Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((5-(2-(azetidin-1-yl)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-9q4k: Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((2,3-difluoro-5-(2-(piperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.198 Å PDB-9q4m: Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((2,3-difluoro-5-(2-(3-fluoroazetidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.065 Å PDB-9q4n: Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((2,3-difluoro-5-(2-(4-fluoropiperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.148 Å PDB-9q4o: Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((5-(2-(4,4-difluoropiperidin-1-yl)ethyl-2,3-difluorophenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.116 Å PDB-9q4p: Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(dimethylamino)ethyl)-2,3-difluorophenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-9q4q: Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((2,3-difluoro-5-(2-(methylamino)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-9q4r: Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(diethylamino)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.931 Å PDB-9q4s: Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(azetidin-1-yl)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-9q4t: Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((2,3-difluoro-5-(2-(piperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-9q4u: Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((2,3-difluoro-5-(2-(3-fluoroazetidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.922 Å PDB-9q4v: Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((2,3-difluoro-5-(2-(4-fluoropiperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.14 Å PDB-9q4w: Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(4,4-difluoropiperidin-1-yl)ethyl-2,3-difluorophenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.931 Å PDB-9q4x: Structure of human endothelial nitric oxide synthase heme domain bound with 6-((5-(2-(dimethylamino)ethyl)-2,3-difluorophenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-9q4y: Structure of human endothelial nitric oxide synthase heme domain bound with 6-((2,3-difluoro-5-(2-(methylamino)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-9q4z: Structure of human endothelial nitric oxide synthase heme domain bound with 6-((5-(2-(ethyl(methyl)amino)ethyl)-2,3-difluorophenxy)methyl)-4-methylphridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-9q51: Structure of human endothelial nitric oxide synthase heme domain bound with 6-((5-(2-(diethylamino)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-9q52: Structure of human endothelial nitric oxide synthase heme domain bound with 6-((5-(2-(azetidin-1-yl)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-9q53: Structure of human endothelial nitric oxide synthase heme domain bound with 6-((2,3-difluoro-5-(2-(piperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-9q55: Structure of human endothelial nitric oxide synthase heme domain bound with 6-((2,3-difluoro-5-(2-(4-fluoropiperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-9q58: Structure of human endothelial nitric oxide synthase heme domain bound with 6-((5-(2-(4,4-difluoropiperidin-1-yl)ethyl-2,3-difluorophenoxy)methyl)-4-methylpyridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-9q61: Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(ethyl(methyl)amino)ethyl)-2,3-difluorophenxy)methyl)-4-methylphridin-2-amine 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å
化合物	ChemComp-HEM: PROTOPORPHYRIN IX CONTAINING FE ChemComp-H4B: 5,6,7,8-TETRAHYDROBIOPTERIN PDB-1cn2: SOLUTION STRUCTURE OF TOXIN 2 FROM CENTRUROIDES NOXIUS HOFFMANN, A BETA SCORPION NEUROTOXIN ACTING ON SODIUM CHANNELS, NMR, 15 STRUCTURES ChemComp-GOL: GLYCEROL ChemComp-ZN: Unknown entry ChemComp-HOH: WATER PDB-1cn3: INTERACTION OF POLYOMAVIRUS INTERNAL PROTEIN VP2 WITH MAJOR CAPSID PROTEIN VP1 AND IMPLICATIONS FOR PARTICIPATION OF VP2 IN VIRAL ENTRY PDB-1cn4: ERYTHROPOIETIN COMPLEXED WITH EXTRACELLULAR DOMAINS OF ERYTHROPOIETIN RECEPTOR PDB-1cn5: Unknown entry PDB-1cn6: Unknown entry PDB-1cn7: Yeast ribosomal protein L30 PDB 未公開エントリ PDB-1cn8: Unknown entry PDB 未公開エントリ PDB-1cn9: Unknown entry ChemComp-ACT: ACETATE ION PDB-1coa: THE EFFECT OF CAVITY CREATING MUTATIONS IN THE HYDROPHOBIC CORE OF CHYMOTRYPSIN INHIBITOR 2 PDB-1cok: STRUCTURE OF THE C-TERMINAL DOMAIN OF P73 ChemComp-BTB: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH緩衝剤YM ChemComp-CL: Unknown entry ChemComp-GD: GADOLINIUM ATOM ChemComp-CA*: Unknown entry
由来	homo sapiens (ヒト) rattus norvegicus (ドブネズミ)
キーワード	OXIDOREDUCTASE/INHIBITOR / nitric oxide synthase inhibitor binding / OXIDOREDUCTASE-INHIBITOR complex / OXIDOREDUCTASE / OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex