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	Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib.
ジャーナル・号・ページ	J. Med. Chem., Vol. 65, Page 13052-13073, Year 2022
掲載日	2022年6月2日 (構造データの登録日)
著者	Obst-Sander, U. / Ricci, A. / Kuhn, B. / Friess, T. / Koldewey, P. / Kuglstatter, A. / Hewings, D. / Goergler, A. / Steiner, S. / Rueher, D. ...Obst-Sander, U. / Ricci, A. / Kuhn, B. / Friess, T. / Koldewey, P. / Kuglstatter, A. / Hewings, D. / Goergler, A. / Steiner, S. / Rueher, D. / Imhoff, M.P. / Raschetti, N. / Marty, H.P. / Dietzig, A. / Rynn, C. / Ehler, A. / Burger, D. / Kornacker, M. / Schaffland, J.P. / Herting, F. / Pao, W. / Bischoff, J.R. / Martoglio, B. / Alice Nagel, Y. / Jaeschke, G.
リンク	J. Med. Chem. / PubMed:36178776
手法	X線回折
解像度	1.07 - 1.69 Å
構造データ	PDB-8a27: EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide 手法: X-RAY DIFFRACTION / 解像度: 1.07 Å PDB-8a2a: EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide (form 2) 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-8a2b: EGFR kinase domain (L858R/V948R) in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide 手法: X-RAY DIFFRACTION / 解像度: 1.69 Å PDB-8a2d: EGFR kinase domain (L858R/V948R) in complex with 2-[4-(difluoromethyl)-6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-thiazol-2-yl-acetamide 手法: X-RAY DIFFRACTION / 解像度: 1.11 Å
化合物	ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-KY9: (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide ChemComp-NO3: NITRATE ION ChemComp-HOH: WATER ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-MES: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID / 2-モルホリノエタンスルホン酸 / pH緩衝剤YM ChemComp-KXY*: (2R)-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)ethanamide
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE / KINASE INHIBITOR