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5J6A

Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46

Summary for 5J6A
Entry DOI10.2210/pdb5j6a/pdb
Related4MP2 4MP7 4MPC 4MPE 4MPN 5J71
Descriptor[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide (3 entities in total)
Functional Keywordsghkl protein kinase, pyruvate dehydrogenase complex, mitochondrial protein kinases, impaired glucose oxidation, hepatic steatosis, type 2 diabetes, cancer, bergerat nucleotide-binding fold, protein kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight45734.96
Authors
Gui, W.J.,Tso, S.C.,Chuang, J.L.,Wu, C.Y.,Qi, X.,Wynn, R.M.,Chuang, D.T. (deposition date: 2016-04-04, release date: 2017-01-25, Last modification date: 2023-09-27)
Primary citationTso, S.C.,Lou, M.,Wu, C.Y.,Gui, W.J.,Chuang, J.L.,Morlock, L.K.,Williams, N.S.,Wynn, R.M.,Qi, X.,Chuang, D.T.
Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors.
J. Med. Chem., 60:1142-1150, 2017
Cited by
PubMed: 28085286
DOI: 10.1021/acs.jmedchem.6b01540
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.045 Å)
Structure validation

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