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Structure paper

TitleStructural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds.
Journal, issue, pagesBiochem. Biophys. Res. Commun., Vol. 527, Page 778-784, Year 2020
Publish dateDec 12, 2019 (structure data deposition date)
AuthorsKang, J. / Pagire, H.S. / Kang, D. / Song, Y.H. / Lee, I.K. / Lee, K.T. / Park, C.J. / Ahn, J.H. / Kim, J.
External linksBiochem. Biophys. Res. Commun. / PubMed:32444142
MethodsX-ray diffraction
Resolution1.76 - 2.67 Å
Structure data

PDB-6lil:
Crystal structure of human PDK2 complexed with an allosteric inhibitor compound 8c
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-6lin:
Crystal structure of human PDK2 complexed with GM10030
Method: X-RAY DIFFRACTION / Resolution: 2.67 Å

PDB-6lio:
Crystal structure of human PDK2 complexed with GM67520
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

Chemicals

ChemComp-FLC:
CITRATE ANION

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-EGX:
1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione

ChemComp-HOH:
WATER

ChemComp-EH0:
4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid

ChemComp-EH3:
4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / mitochondria / kinase / inhibitor

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