8Q10
Endothiapepsin in complex with ligand (3R,5R)-3-(2-(hydroxymethyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-125)
Summary for 8Q10
Entry DOI | 10.2210/pdb8q10/pdb |
Descriptor | Endothiapepsin, (3~{R},5~{R})-3-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, DIMETHYL SULFOXIDE, ... (8 entities in total) |
Functional Keywords | endothiapepsin, ligand complex, hydrolase |
Biological source | Cryphonectria parasitica (chestnut blight fungus) |
Total number of polymer chains | 1 |
Total formula weight | 34993.15 |
Authors | Mueller, J.M.,Eckelt, S.,Klebe, G.,Glinca, S. (deposition date: 2023-07-29, release date: 2024-08-07) |
Primary citation | Mueller, J.M. Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published, |
Experimental method | X-RAY DIFFRACTION (1.27 Å) |
Structure validation
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