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	Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
ジャーナル・号・ページ	J. Med. Chem., Vol. 59, Page 3991-, Year 2016
掲載日	2015年11月16日 (構造データの登録日)
著者	Davies, T.G. / Wixted, W.E. / Coyle, J.E. / Griffiths-Jones, C. / Hearn, K. / Mcmenamin, R.L. / Norton, D. / Rich, S.J. / Richardson, C. / Saxty, G. ...Davies, T.G. / Wixted, W.E. / Coyle, J.E. / Griffiths-Jones, C. / Hearn, K. / Mcmenamin, R.L. / Norton, D. / Rich, S.J. / Richardson, C. / Saxty, G. / Willems, H.M.G. / Woolford, A.J. / Cottom, J.E. / Kou, J. / Yonchuk, J.G. / Feldser, H.G. / Sanchez, Y. / Foley, J.P. / Bolognese, B.J. / Logan, G.A. / Podolin, P.L. / Yan, H. / Callahan, J.F. / Heightman, T.D. / Kerns, J.K.
リンク	J. Med. Chem. / PubMed:27031670
手法	X線回折
解像度	1.78 - 2.01 Å
構造データ	PDB-5fnq: Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 1.91 Å PDB-5fnr: Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 1.89 Å PDB-5fns: Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-5fnt: Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-5fnu: Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 1.78 Å PDB-5fzj: Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-5fzn: Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å
化合物	ChemComp-S0W: 3-(4-CHLOROPHENYL)PROPANOIC ACID / 3-(4-クロロフェニル)プロピオン酸 ChemComp-HOH: WATER ChemComp-XMS: (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid ChemComp-XYY: (3s)-{4-Chloro-3-[(N-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl) propanoic acid ChemComp-CL: Unknown entry / クロリド ChemComp-0PL: (3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid ChemComp-L6I: (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid / (8R)-6-[2-メチル-5-[(S)-1-(1-メチル-7-メトキシ-1H-ベンゾトリアゾ-ル-5-イル)-3-オ(以下略) ChemComp-75K: 2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-FB2: benzenesulfonamide / ベンゼンスルホンアミド
由来	mus musculus (ハツカネズミ)
キーワード	TRANSCRIPTION / KEAP1 / NRF2 / OXIDATIVE STRESS / TRASNCRIPTION / INHIBITOR