5EM6

EGFR kinase domain mutant "TMLR" with pyridone compound 19: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide

5EM6 の概要

• エントリーDOI: 10.2210/pdb5em6/pdb
• 関連するPDBエントリー: 5EM5 5EM7 5EM8
• 分子名称: Epidermal growth factor receptor, SULFATE ION, 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide, ... (4 entities in total)
• 機能のキーワード: protein kinase, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cell membrane; Single-pass type I membrane protein. Isoform 2: Secreted: P00533
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 38065.93

構造登録者

Eigenbrot, C.,Yu, C. (登録日: 2015-11-05, 公開日: 2015-12-30, 最終更新日: 2024-03-06)

主引用文献

Bryan, M.C.,Burdick, D.J.,Chan, B.K.,Chen, Y.,Clausen, S.,Dotson, J.,Eigenbrot, C.,Elliott, R.,Hanan, E.J.,Heald, R.,Jackson, P.,La, H.,Lainchbury, M.,Malek, S.,Mann, S.E.,Purkey, H.E.,Schaefer, G.,Schmidt, S.,Seward, E.,Sideris, S.,Wang, S.,Yen, I.,Yu, C.,Heffron, T.P.
Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR.
Acs Med.Chem.Lett., 7:100-104, 2016

PubMed Abstract: The rapid advancement of a series of noncovalent inhibitors of T790M mutants of EGFR is discussed. The optimization of pyridone 1, a nonselective high-throughput screening hit, to potent molecules with high levels of selectivity over wtEGFR and the broader kinome is described herein.

PubMed: 26819674
DOI: 10.1021/acsmedchemlett.5b00428

実験手法

X-RAY DIFFRACTION (2.78 Å)