9WDH

Crystal Structure of CBL-B in Complex with a Potent Inhibitor Demonstrating In Vivo Efficacy

This is a non-PDB format compatible entry.

Summary for 9WDH

• Entry DOI: 10.2210/pdb9wdh/pdb
• Descriptor: E3 ubiquitin-protein ligase CBL-B, 5-fluoranyl-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-1~{H}-quinolin-2-one, ZINC ION, ... (4 entities in total)
• Functional Keywords: inhibitor, ligase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 92714.96

Authors

Sun, G.,Wang, H.,Liu, C.,Zhang, B.,Wang, Y.,Xin, B.,Jiang, D.,Wang, H.,Huang, B. (deposition date: 2025-08-19, release date: 2026-08-26)

• Primary citation: Wang, H.,Sun, G.,Zhang, B.,Wang, Y.,Xin, B.,Yang, M.,Liu, C.,Zhou, F.,Liu, Z.,Jiang, D.,Wang, H.,Zhou, W.,Huang, B.; A Unified 3D Molecular Generation Platform for Novel Scaffold Discovery and Hit-to-Lead Optimization Leading to Cbl-b Inhibitor Discovery with In Vivo Efficacy; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.8 Å)