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TitleDiscovery of YJZ5118 : A Potent and Highly Selective Irreversible CDK12/13 Inhibitor with Synergistic Effects in Combination with Akt Inhibition.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 6718-6734, Year 2025
Publish dateSep 14, 2024 (structure data deposition date)
AuthorsYang, J. / Chang, Y. / Zhou, K. / Huang, W. / Tien, J.C. / Zhang, P. / Liu, W. / Zhou, L. / Zhou, Y. / Ren, X. ...Yang, J. / Chang, Y. / Zhou, K. / Huang, W. / Tien, J.C. / Zhang, P. / Liu, W. / Zhou, L. / Zhou, Y. / Ren, X. / Mannan, R. / Mahapatra, S. / Zhang, Y. / Hamadeh, R. / Ervine, G. / Wang, Z. / Wang, G.X. / Chinnaiyan, A.M. / Ding, K.
External linksJ. Med. Chem. / PubMed:40080446
MethodsX-ray diffraction
Resolution2.72 Å
Structure data

PDB-9jk1:
Crystal structure of CDK12/Cyclin K in complex with covalent inhibitor YJZ5118
Method: X-RAY DIFFRACTION / Resolution: 2.72 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

PDB-1eb3:
YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE 4,7-DIOXOSEBACIC ACID COMPLEX

ChemComp-MG:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / kinase / covalent inhibitor / selective

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