8FKO

Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile

8FKO の概要

• エントリーDOI: 10.2210/pdb8fko/pdb
• 分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile (3 entities in total)
• 機能のキーワード: inhibitor, hematopoietic, kinase, transferase-inhibitor complex, transferase/inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 224684.17

構造登録者

McTigue, M.,Johnson, E.,Cronin, C. (登録日: 2022-12-21, 公開日: 2023-04-05, 最終更新日: 2023-10-25)

• 主引用文献: Gallego, R.A.,Bernier, L.,Chen, H.,Cho-Schultz, S.,Chung, L.,Collins, M.,Del Bel, M.,Elleraas, J.,Costa Jones, C.,Cronin, C.N.,Edwards, M.,Fang, X.,Fisher, T.,He, M.,Hoffman, J.,Huo, R.,Jalaie, M.,Johnson, E.,Johnson, T.W.,Kania, R.S.,Kraus, M.,Lafontaine, J.,Le, P.,Liu, T.,Maestre, M.,Matthews, J.,McTigue, M.,Miller, N.,Mu, Q.,Qin, X.,Ren, S.,Richardson, P.,Rohner, A.,Sach, N.,Shao, L.,Smith, G.,Su, R.,Sun, B.,Timofeevski, S.,Tran, P.,Wang, S.,Wang, W.,Zhou, R.,Zhu, J.,Nair, S.K.; Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.; J.Med.Chem., 66:4888-4909, 2023; PubMed: 36940470; DOI: 10.1021/acs.jmedchem.2c02038

実験手法

X-RAY DIFFRACTION (2.104 Å)