The three-dimensional structures of all compounds in the library in both PDB and PDBQT formats, which were used for TRPV3-targeted in silico screening

These files contain the three-dimensional structures (in both PDB and PDBQT formats) of all compounds from our natural product library that were used for in silico screening to identify novel TRPV3 inhibitors. The complete molecular coordinate files were essential for conducting structure-based virtual screening targeting the TRPV3 channel.