6WA2

Crystal structure of EGFR(T790M/V948R) in complex with LN3753

6WA2 の概要

• エントリーDOI: 10.2210/pdb6wa2/pdb
• 分子名称: Epidermal growth factor receptor, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide, CHLORIDE ION, ... (4 entities in total)
• 機能のキーワード: drug discovery, cancer, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 151933.87

構造登録者

Heppner, D.E.,Eck, M.J. (登録日: 2020-03-24, 公開日: 2021-03-31, 最終更新日: 2023-10-18)

• 主引用文献: Wittlinger, F.,Heppner, D.E.,To, C.,Gunther, M.,Shin, B.H.,Rana, J.K.,Schmoker, A.M.,Beyett, T.S.,Berger, L.M.,Berger, B.T.,Bauer, N.,Vasta, J.D.,Corona, C.R.,Robers, M.B.,Knapp, S.,Janne, P.A.,Eck, M.J.,Laufer, S.A.; Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.; J.Med.Chem., 65:1370-1383, 2022; PubMed: 34668706; DOI: 10.1021/acs.jmedchem.1c00848

実験手法

X-RAY DIFFRACTION (2.4 Å)