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TitleRapid Discovery of Celastrol Derivatives as Potent and Selective PRDX1 Inhibitors via Microplate-Based Parallel Compound Library and In Situ Screening.
Journal, issue, pagesJ. Med. Chem., Year 2025
Publish dateJan 21, 2025 (structure data deposition date)
AuthorsChen, S. / Wang, Z. / Gao, J. / Wang, Y. / Liang, J. / Zhu, Y. / Xu, H. / Chen, K. / Jin, L. / Zhang, H. ...Chen, S. / Wang, Z. / Gao, J. / Wang, Y. / Liang, J. / Zhu, Y. / Xu, H. / Chen, K. / Jin, L. / Zhang, H. / Xiong, H. / Luo, C.
External linksJ. Med. Chem. / PubMed:40546088
MethodsX-ray diffraction
Resolution1.63 Å
Structure data

PDB-9lnh:
Crystal structure of Peroxiredoxin I in complex with compound LC-PDin20
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

Chemicals

PDB-1el9:
COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR [METHYLTHIO]ACETATE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Celastrol derivative / PRDX1 inhibitor

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