8ZM2

Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 16

This is a non-PDB format compatible entry.

Summary for 8ZM2

• Entry DOI: 10.2210/pdb8zm2/pdb
• Descriptor: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate (3 entities in total)
• Functional Keywords: pdhk, kinase inhibitors, fragment screening, pdk1, pdk2, pdk3, pdk4, transferase-inhibitor complex, transferase/inhibitor, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 44955.98

Authors

Akai, S.,Orita, T.,Nomura, A.,Adachi, T. (deposition date: 2024-05-22, release date: 2024-06-19, Last modification date: 2024-07-03)

• Primary citation: Inoue, M.,Nagamori, H.,Morita, T.,Kobayashi, S.,Suzawa, K.,Kitao, Y.,Saito, T.,Kawahara, I.,Orita, T.,Akai, S.,Adachi, T.,Motomura, T.; Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase.; Bioorg.Med.Chem.Lett., 109:129839-129839, 2024; PubMed: 38844173; DOI: 10.1016/j.bmcl.2024.129839

Experimental method

X-RAY DIFFRACTION (2.34 Å)