5GNK

Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34

5GNK の概要

• エントリーDOI: 10.2210/pdb5gnk/pdb
• 関連するPDBエントリー: 5GMP
• 分子名称: Epidermal growth factor receptor, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, NITRATE ION, ... (6 entities in total)
• 機能のキーワード: egfr, t790m, lxx-6-34, inhibitor, transferase
• 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: 36202.71

構造登録者

Yan, X.E.,Yun, C.H. (登録日: 2016-07-21, 公開日: 2017-04-05, 最終更新日: 2023-11-08)

• 主引用文献: Wang, A.,Li, X.,Wu, H.,Zou, F.,Yan, X.E.,Chen, C.,Hu, C.,Yu, K.,Wang, W.,Zhao, P.,Wu, J.,Qi, Z.,Wang, W.,Wang, B.,Wang, L.,Ren, T.,Zhang, S.,Yun, C.H.,Liu, J.,Liu, Q.; Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.; J. Med. Chem., 60:2944-2962, 2017; PubMed: 28282122; DOI: 10.1021/acs.jmedchem.6b01907

実験手法

X-RAY DIFFRACTION (1.796 Å)