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Structure paper

TitleStructure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 16650-16674, Year 2021
Publish dateJul 6, 2021 (structure data deposition date)
AuthorsZhang, Z. / Guo, Z. / Xu, X. / Cao, D. / Yang, H. / Li, Y. / Shi, Q. / Du, Z. / Guo, X. / Wang, X. ...Zhang, Z. / Guo, Z. / Xu, X. / Cao, D. / Yang, H. / Li, Y. / Shi, Q. / Du, Z. / Guo, X. / Wang, X. / Chen, D. / Zhang, Y. / Chen, L. / Zhou, K. / Li, J. / Geng, M. / Huang, X. / Xiong, B.
External linksJ. Med. Chem. / PubMed:34781683
MethodsX-ray diffraction
Resolution2.09749259173 - 2.24507255823 Å
Structure data

PDB-7fai:
CARM1 bound with compound 9
Method: X-RAY DIFFRACTION / Resolution: 2.09749259173 Å

PDB-7faj:
CARM1 bound with compound 43
Method: X-RAY DIFFRACTION / Resolution: 2.24507255823 Å

Chemicals

ChemComp-XJ3:
N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine

ChemComp-HOH:
WATER

ChemComp-XJ4:
N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Histone-arginine methyltransferase CARM1

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