7VBU

Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5

Summary for 7VBU

Entry DOI	10.2210/pdb7vbu/pdb
Related	7VBV 7VBX
Descriptor	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, CHLORIDE ION, ACETATE ION, ... (6 entities in total)
Functional Keywords	pdhk, kinase inhibitors, fragment screening, pdk1, pdk2, pdk3, pdk4, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	45238.87
Authors	Orita, T.,Doi, S.,Iwanaga, T.,Fujishima, A.,Adachi, T. (deposition date: 2021-09-01, release date: 2022-02-16, Last modification date: 2023-11-29)
Primary citation	Bessho, Y.,Akaki, T.,Hara, Y.,Yamakawa, M.,Obika, S.,Mori, G.,Ubukata, M.,Yasue, K.,Nakane, Y.,Terasako, Y.,Orita, T.,Doi, S.,Iwanaga, T.,Fujishima, A.,Adachi, T.,Ueno, H.,Motomura, T. Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52:116514-, 2021 Cited by DOI: 10.1016/j.bmc.2021.116514 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.89 Å)

Structure validation