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	Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
ジャーナル・号・ページ	J. Med. Chem., Vol. 64, Page 15949-15972, Year 2021
掲載日	2021年7月14日 (構造データの登録日)
著者	Norton, D. / Bonnette, W.G. / Callahan, J.F. / Carr, M.G. / Griffiths-Jones, C.M. / Heightman, T.D. / Kerns, J.K. / Nie, H. / Rich, S.J. / Richardson, C. ...Norton, D. / Bonnette, W.G. / Callahan, J.F. / Carr, M.G. / Griffiths-Jones, C.M. / Heightman, T.D. / Kerns, J.K. / Nie, H. / Rich, S.J. / Richardson, C. / Rumsey, W. / Sanchez, Y. / Verdonk, M.L. / Willems, H.M.G. / Wixted, W.E. / Wolfe 3rd, L. / Woolford, A.J. / Wu, Z. / Davies, T.G.
リンク	J. Med. Chem. / PubMed:34705450
手法	X線回折
解像度	1.79 - 1.89 Å
構造データ	PDB-7p58: Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction 手法: X-RAY DIFFRACTION / 解像度: 1.886 Å PDB-7p5e: Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction 手法: X-RAY DIFFRACTION / 解像度: 1.874 Å PDB-7p5f: Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-7p5i: Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-7p5k: Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-7p5n: Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction 手法: X-RAY DIFFRACTION / 解像度: 1.89 Å PDB-7p5p: Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å
化合物	ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM / ジメチルスルホキシド ChemComp-CL: Unknown entry / クロリド / 塩化物 ChemComp-5UI: 1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ChemComp-HOH: WATER / 水 ChemComp-5VX: 1-[6-[3-(dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ChemComp-5QZ: 5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid ChemComp-SO4: SULFATE ION / 硫酸ジアニオン / 硫酸塩 ChemComp-5X9: 1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid ChemComp-5UZ: 5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid ChemComp-5RQ: 1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid ChemComp-5RB*: 5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{R})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid
由来	mus musculus (ハツカネズミ)
キーワード	PROTEIN BINDING (タンパク質) / protein ubiquitination / protein-protein interaction (タンパク質間相互作用) / oxidative stress (酸化ストレス)