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TitleDesign and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 109, Page 129839-129839, Year 2024
Publish dateMay 22, 2024 (structure data deposition date)
AuthorsInoue, M. / Nagamori, H. / Morita, T. / Kobayashi, S. / Suzawa, K. / Kitao, Y. / Saito, T. / Kawahara, I. / Orita, T. / Akai, S. ...Inoue, M. / Nagamori, H. / Morita, T. / Kobayashi, S. / Suzawa, K. / Kitao, Y. / Saito, T. / Kawahara, I. / Orita, T. / Akai, S. / Adachi, T. / Motomura, T.
External linksBioorg. Med. Chem. Lett. / PubMed:38844173
MethodsX-ray diffraction
Resolution2.34 - 2.35 Å
Structure data

PDB-8zm1:
Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 6
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-8zm2:
Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 16
Method: X-RAY DIFFRACTION / Resolution: 2.34 Å

Chemicals

PDB-1l16:
STRUCTURAL ANALYSIS OF THE TEMPERATURE-SENSITIVE MUTANT OF BACTERIOPHAGE T4 LYSOZYME, GLYCINE 156 (RIGHT ARROW) ASPARTIC ACID

ChemComp-HOH:
WATER

PDB-1l17:
HYDROPHOBIC STABILIZATION IN T4 LYSOZYME DETERMINED DIRECTLY BY MULTIPLE SUBSTITUTIONS OF ILE 3

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / pdhk / kinase inhibitors / fragment screening / pdk1 / pdk2 / pdk3 / pdk4 / transferase-inhibitor complex / transferase/inhibitor

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