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Structure paper

TitleCelastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Journal, issue, pagesSignal Transduct Target Ther, Vol. 8, Page 51-51, Year 2023
Publish dateDec 24, 2021 (structure data deposition date)
AuthorsXu, H. / Zhao, H. / Ding, C. / Jiang, D. / Zhao, Z. / Li, Y. / Ding, X. / Gao, J. / Zhou, H. / Luo, C. ...Xu, H. / Zhao, H. / Ding, C. / Jiang, D. / Zhao, Z. / Li, Y. / Ding, X. / Gao, J. / Zhou, H. / Luo, C. / Chen, G. / Zhang, A. / Xu, Y. / Zhang, H.
External linksSignal Transduct Target Ther / PubMed:36732502
MethodsX-ray diffraction
Resolution1.76 - 1.81 Å
Structure data

PDB-7wet:
Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

PDB-7weu:
Crystal structure of Peroxiredoxin I in complex with compound 19-048
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

Chemicals

ChemComp-AQR:
(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-UNL:
Unknown ligand

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Complex / Inhibitor / Peroxiredoxin

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