9WD3

Crystal structure of HPK1 kinase in complex with a potent and selective inhibitor with in vivo efficacy

This is a non-PDB format compatible entry.

Summary for 9WD3

• Entry DOI: 10.2210/pdb9wd3/pdb
• Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, 5-(8-methoxyimidazo[1,2-a]pyridin-3-yl)-7,7-dimethyl-9-morpholin-4-yl-2,12-dihydrobenzo[b][1,9]phenanthrolin-1-one (2 entities in total)
• Functional Keywords: inhibitor, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 8
• Total formula weight: 271553.61

Authors

Sun, G.,Xi, B.,Zhang, J.,Wang, H.,Jiang, D.,Wang, H.,Huang, B. (deposition date: 2025-08-18, release date: 2026-08-26)

• Primary citation: Xi, B.,Wang, H.,Sun, G.,Zhang, B.,Mao, R.,Pan, Y.,Ge, Y.,Zhang, J.,Zhou, F.,Wang, Y.,Liu, Z.,Jiang, D.,Wang, H.,Zhou, W.,Huang, B.; Pocket-based molecule generation with an SE(3)-equivariant generative AI leads to a potent and selective HPK1 inhibitor with in vivo efficacy; To Be Published,

Experimental method

X-RAY DIFFRACTION (3.22 Å)