8XN7

Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f

This is a non-PDB format compatible entry.

Summary for 8XN7

• Entry DOI: 10.2210/pdb8xn7/pdb
• Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one (3 entities in total)
• Functional Keywords: kinase, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 67322.01

Authors

Huang, W.X.,Liu, R.,Ding, K. (deposition date: 2023-12-29, release date: 2024-04-10)

• Primary citation: Qiu, X.,Liu, R.,Ling, H.,Zhou, Y.,Ren, X.,Zhou, F.,Zhang, J.,Huang, W.,Wang, Z.,Ding, K.; Discovery of 5-aminopyrido[2,3-d]pyrimidin-7(8H)-one derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors.; Eur.J.Med.Chem., 269:116310-116310, 2024; PubMed: 38479166; DOI: 10.1016/j.ejmech.2024.116310

Experimental method

X-RAY DIFFRACTION (2.65 Å)