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-Structure paper
Title | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. |
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Journal, issue, pages | Bioorg. Med. Chem., Vol. 52, Page 116514-, Year 2021 |
Publish date | Sep 1, 2021 (structure data deposition date) |
Authors | Bessho, Y. / Akaki, T. / Hara, Y. / Yamakawa, M. / Obika, S. / Mori, G. / Ubukata, M. / Yasue, K. / Nakane, Y. / Terasako, Y. ...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. |
External links | Bioorg. Med. Chem. / Search PubMed |
Methods | X-ray diffraction |
Resolution | 1.89 - 2.6 Å |
Structure data | PDB-7vbu: PDB-7vbv: PDB-7vbx: |
Chemicals | ChemComp-CL: ChemComp-ACT: ChemComp-DMS: ChemComp-6I4: ChemComp-HOH: ChemComp-67V: ChemComp-5ZP: |
Source |
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Keywords | TRANSFERASE/INHIBITOR / PDHK / KINASE INHIBITORS / FRAGMENT SCREENING / PDK1 / PDK2 / PDK3 / PDK4 / TRANSFERASE-INHIBITOR complex |