8YLB

Cocrystal structures of agonists compound 1 with HsClpP

This is a non-PDB format compatible entry.

Summary for 8YLB

• Entry DOI: 10.2210/pdb8ylb/pdb
• Descriptor: ATP-dependent Clp protease proteolytic subunit, mitochondrial, 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one (3 entities in total)
• Functional Keywords: homo sapiens casein lysing protease p (hsclpp) acute myeloid leukemia (aml) agonists, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 14
• Total formula weight: 342710.00

Authors

Zhao, N.,Zhu, Y.,Bao, R. (deposition date: 2024-03-06, release date: 2024-05-15)

• Primary citation: Xiang, X.,Dai, Z.,Luo, B.,Zhao, N.,Liu, S.,Sui, J.,Huang, J.,Zhou, Y.,Gu, J.,Zhang, J.,Yang, T.,Bao, R.,Luo, Y.; Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity.; J.Med.Chem., 67:6769-6792, 2024; PubMed: 38620134; DOI: 10.1021/acs.jmedchem.4c00338

Experimental method

X-RAY DIFFRACTION (2.15 Å)