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TitleDiscovery of Naphthyridinone Derivatives as Selective and Potent PKMYT1 Inhibitors with Antitumor Efficacy.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 8497-8515, Year 2025
Publish dateJan 10, 2025 (structure data deposition date)
AuthorsChen, B. / Liu, X. / Mu, T. / Xu, J. / Zhao, D. / Dey, F. / Tang, Y. / Xu, Z. / Yang, J. / Huang, K. ...Chen, B. / Liu, X. / Mu, T. / Xu, J. / Zhao, D. / Dey, F. / Tang, Y. / Xu, Z. / Yang, J. / Huang, K. / Li, C. / Chen, S. / Zhu, S. / Wang, S. / Yao, X. / Yan, Z. / Tu, Y. / Dai, Y. / Qiu, H. / Jiang, T. / Qi, Y. / Li, Y. / Shen, H.C. / Zhu, W. / Tan, X. / Wu, J.
External linksJ. Med. Chem. / PubMed:40198752
MethodsX-ray diffraction
Resolution2.03 - 2.17 Å
Structure data

PDB-9lgl:
Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 6
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

PDB-9lgn:
Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 40
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-9lgv:
Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 11
Method: X-RAY DIFFRACTION / Resolution: 2.041 Å

PDB-9lid:
Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 27
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

Chemicals

PDB-1ejw:
CRYSTAL STRUCTURE OF WILD-TYPE KLEBSIELLA AEROGENES UREASE AT 298K

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

PDB-1eju:
CRYSTAL STRUCTURE OF THE H320N VARIANT OF KLEBSIELLA AEROGENES UREASE

ChemComp-SO4:
SULFATE ION

ChemComp-TLA:
L(+)-TARTARIC ACID

PDB-1ejv:
CRYSTAL STRUCTURE OF THE H320Q VARIANT OF KLEBSIELLA AEROGENES UREASE

PDB-1ejx:
CRYSTAL STRUCTURE OF WILD-TYPE KLEBSIELLA AEROGENES UREASE AT 100K

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / inhibitor

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