タイトル | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. |
---|
ジャーナル・号・ページ | Nat. Chem. Biol., Vol. 4, Page 700-707, Year 2008 |
---|
掲載日 | 2008年8月14日 (構造データの登録日) |
---|
著者 | Garcin, E.D. / Arvai, A.S. / Rosenfeld, R.J. / Kroeger, M.D. / Crane, B.R. / Andersson, G. / Andrews, G. / Hamley, P.J. / Mallinder, P.R. / Nicholls, D.J. ...Garcin, E.D. / Arvai, A.S. / Rosenfeld, R.J. / Kroeger, M.D. / Crane, B.R. / Andersson, G. / Andrews, G. / Hamley, P.J. / Mallinder, P.R. / Nicholls, D.J. / St-Gallay, S.A. / Tinker, A.C. / Gensmantel, N.P. / Mete, A. / Cheshire, D.R. / Connolly, S. / Stuehr, D.J. / Aberg, A. / Wallace, A.V. / Tainer, J.A. / Getzoff, E.D. |
---|
リンク | Nat. Chem. Biol. / PubMed:18849972 |
---|
手法 | X線回折 |
---|
解像度 | 2 - 2.9 Å |
---|
構造データ | PDB-3e65: Murine INOS dimer with HEME, pterin and inhibitor AR-C120011 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-3e67: Murine inos dimer with inhibitor 4-MAP bound 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-3e68: Structure of murine INOS oxygenase domain with inhibitor AR-C130232 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3e6l: Structure of murine INOS oxygenase domain with inhibitor AR-C132283 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-3e6n: Structure of murine INOS oxygenase domain with inhibitor AR-C125813 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-3e6o: Structure of murine INOS oxygenase domain with inhibitor AR-C124355 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-3e6t: Structure of murine INOS oxygenase domain with inhibitor AR-C118901 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-3e7g: Structure of human INOSOX with inhibitor AR-C95791 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3e7i: Structure of murine inos oxygenase domain with inhibitor AR-C94864 手法: X-RAY DIFFRACTION / 解像度: 2.9 Å PDB-3e7m: Structure of murine iNOS oxygenase domain with inhibitor AR-C95791 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-3e7s: Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-3e7t: Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-3eah: Structure of inhibited human eNOS oxygenase domain 手法: X-RAY DIFFRACTION / 解像度: 2.44 Å PDB-3eai: Structure of inhibited murine iNOS oxygenase domain 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3ebd: Structure of inhibited murine iNOS oxygenase domain 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-3ebf: Structure of inhibited murine iNOS oxygenase domain 手法: X-RAY DIFFRACTION / 解像度: 2.29 Å PDB-3ej8: Structure of double mutant of human iNOS oxygenase domain with bound immidazole 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å |
---|
化合物 | ChemComp-XXZ: 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE
ChemComp-AT6: N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE
ChemComp-A11: ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE
ChemComp-A55: N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE
ChemComp-1A2: 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE
ChemComp-AT2: ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE
ChemComp-B2: (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE
ChemComp-B14: 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE
ChemComp-327: (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine
ChemComp-328: 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile
ChemComp-329: (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
ChemComp-332: (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
|
---|
由来 | - mus musculus (ハツカネズミ)
- homo sapiens (ヒト)
- bos taurus (ウシ)
|
---|
キーワード | OXIDOREDUCTASE / dimer / inducible nitric oxide synthase / Calmodulin-binding / FAD / FMN / Heme / Iron / Metal-binding / NADP / Polymorphism / Zinc / nitric oxide sythase / oxygenase domain / isozyme-specific inhibitors / nitric oxide / NOS / tetrahydrobiopterin / Alternative splicing / Calcium / Phosphoprotein / NITRIC OXIDE SYNTHASE / OXIDOREDUCTASE Calmodulin-binding |
---|