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	Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach.
ジャーナル・号・ページ	J. Med. Chem., Vol. 63, Page 11725-11755, Year 2020
掲載日	2019年11月14日 (構造データの登録日)
著者	Lategahn, J. / Hardick, J. / Grabe, T. / Niggenaber, J. / Jeyakumar, K. / Keul, M. / Tumbrink, H.L. / Becker, C. / Hodson, L. / Kirschner, T. ...Lategahn, J. / Hardick, J. / Grabe, T. / Niggenaber, J. / Jeyakumar, K. / Keul, M. / Tumbrink, H.L. / Becker, C. / Hodson, L. / Kirschner, T. / Klovekorn, P. / Ketzer, J. / Baumann, M. / Terheyden, S. / Unger, A. / Weisner, J. / Muller, M.P. / van Otterlo, W.A.L. / Bauer, S. / Rauh, D.
リンク	J. Med. Chem. / PubMed:32931277
手法	X線回折
解像度	1.5 - 2 Å
構造データ	PDB-6tfu: Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 14d 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6tfv: Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18b 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6tfw: Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18d 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6tfy: Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18c 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-6tfz: Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 19 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6tg0: Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21a 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6tg1: Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21b 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å
化合物	ChemComp-N7K: ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-HOH: WATER ChemComp-N7Q: ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-CL: Unknown entry / クロリド ChemComp-N7W: ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-N7Z: ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide ChemComp-N7B: ~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide ChemComp-N78: ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide ChemComp-N82: ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide ChemComp-NA: Unknown entry / ナトリウムカチオン
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE / HER2 / EGFR / covalent Inhibitors