8X73

Crystal structure of Peroxiredoxin I in complex with compound 19-069

Summary for 8X73

Entry DOI	10.2210/pdb8x73/pdb
Descriptor	Peroxiredoxin-1, methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate (3 entities in total)
Functional Keywords	oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	39807.59
Authors	Zhang, H.,Luo, C. (deposition date: 2023-11-22, release date: 2024-06-19, Last modification date: 2025-12-03)
Primary citation	Li, Y.,Zhu, Y.,Shang, F.F.,Xu, L.,Jiang, D.,Sun, B.,Zhang, L.,Luo, C.,Zhang, A.,Zhang, H.,Ding, C. Discovery of Urea Derivatives of Celastrol as Selective Peroxiredoxin 1 Inhibitors against Colorectal Cancer Cells J.Med.Chem., 67:7176-7196, 2024 Cited by DOI: 10.1021/acs.jmedchem.4c00023 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.61 Å)

Structure validation