7R7D

Structure of human SHP2 in complex with compound 22

7R7D の概要

• エントリーDOI: 10.2210/pdb7r7d/pdb
• 関連するPDBエントリー: 6WU8
• 分子名称: Tyrosine-protein phosphatase non-receptor type 11, 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, ... (4 entities in total)
• 機能のキーワード: phosphatase, inhibitor, shp2, allosteric, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 123922.73

構造登録者

Leonard, P.G.,Cross, J. (登録日: 2021-06-24, 公開日: 2021-10-27, 最終更新日: 2023-10-18)

• 主引用文献: Czako, B.,Sun, Y.,McAfoos, T.,Cross, J.B.,Leonard, P.G.,Burke, J.P.,Carroll, C.L.,Feng, N.,Harris, A.L.,Jiang, Y.,Kang, Z.,Kovacs, J.J.,Mandal, P.,Meyers, B.A.,Mseeh, F.,Parker, C.A.,Yu, S.S.,Williams, C.C.,Wu, Q.,Di Francesco, M.E.,Draetta, G.,Heffernan, T.,Marszalek, J.R.,Kohl, N.E.,Jones, P.; Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.; J.Med.Chem., 64:15141-15169, 2021; PubMed: 34643390; DOI: 10.1021/acs.jmedchem.1c01132

実験手法

X-RAY DIFFRACTION (2.6 Å)