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	Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors
ジャーナル・号・ページ	Nat Commun, Vol. 13, Page 2530-, Year 2022
掲載日	2020年8月27日 (構造データの登録日)
著者	Beyett, T.S. / To, C. / Heppner, D.E. / Rana, J.K. / Schmoker, A.M. / Jang, J. / De Clercq, D.J.H. / Gomez, G. / Scott, D.A. / Gray, N.S. ...Beyett, T.S. / To, C. / Heppner, D.E. / Rana, J.K. / Schmoker, A.M. / Jang, J. / De Clercq, D.J.H. / Gomez, G. / Scott, D.A. / Gray, N.S. / Janne, P.A. / Eck, M.J.
リンク	Nat Commun / PubMedで検索
手法	X線回折
解像度	2.16 - 3.202 Å
構造データ	PDB-7jxi: EGFR kinase (T790M/V948R) in complex with PF-06747775 手法: X-RAY DIFFRACTION / 解像度: 3.0 Å PDB-7jxk: EGFR kinase (T790M/V948R) in complex with PF-06747775 and JBJ-04-125-02 手法: X-RAY DIFFRACTION / 解像度: 3.1 Å PDB-7jxl: EGFR kinase (T790M/V948R) in complex with AZ5104 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-7jxm: EGFR kinase (T790M/V948R) in complex with osimertinib and EAI045 手法: X-RAY DIFFRACTION / 解像度: 2.192 Å PDB-7jxp: EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-04-125-02 手法: X-RAY DIFFRACTION / 解像度: 2.16 Å PDB-7jxw: EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-09-063 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-7k1h: EGFR L858R/V948R in complex with osimertinib and allosteric inhibitor JBJ-09-063 手法: X-RAY DIFFRACTION / 解像度: 2.602 Å PDB-7k1i: EGFR kinase (L858R/V948R) in complex with allosteric inhibitor JBJ-09-063 手法: X-RAY DIFFRACTION / 解像度: 3.202 Å
化合物	ChemComp-8BS: N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide ChemComp-ANP: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP / AMP-PNP, エネルギー貯蔵分子類似体YM ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-JBJ: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide ChemComp-VO7: N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide ChemComp-HOH: WATER ChemComp-9LL: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide ChemComp-YY3: N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide / オシメルチニブ / 薬剤, 阻害剤YM ChemComp-VNS: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE/TRANSFERASE Inhibitor / EGFR / ErbB1 / kinase / inhibitor / TRANSFERASE / TRANSFERASE-TRANSFERASE Inhibitor complex / allosteric