7VBX

Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20

Summary for 7VBX

• Entry DOI: 10.2210/pdb7vbx/pdb
• Related: 7VBU 7VBV
• 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: 45406.12

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; DOI: 10.1016/j.bmc.2021.116514

Experimental method

X-RAY DIFFRACTION (2.6 Å)