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PtGSTU20 has a valine residue at the beginning of the 2 to 3 region and not a glutamic acid as the other known GSTU crystal structures (Figure 2)

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However, none of the predicted hits proved to be effective inhibitors

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This work was financially supported by the Yunnan Clinical Research Center for Rheumatism in Traditional Chinese Medicine (202405AJ310004), the Yunnan Science and Technology Talent and Platform Program (202105AG070012), the Yunnan University of Chinese MedicineHospital Joint Fund Projects (XYLH2024042 and XYLH2024030), the Science Research Foundation of Education Department of Yunnan Province (2025Y0638 and 2024Y380), the Expert Workstation of Zhangxuan in Yunnan Province (202305AF150175), the Funding of Yunnan Applied Basic Research Projects-Union Foundation (202401AZ070001-052) and the High level Key Discipline of TCM Construction Project, Rheumatology, of National Administration of Traditional Chinese Medicine (zyyzdxk-2023189)