8Q4B
Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-163.1)
Summary for 8Q4B
Entry DOI | 10.2210/pdb8q4b/pdb |
Descriptor | Endothiapepsin, (3~{R},5~{R})-3-[2-[[ethynyl(methyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ... (7 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 | 34935.26 |
Authors | Mueller, J.M.,Eckelt, S.,Klebe, G.,Glinca, S. (deposition date: 2023-08-05, release date: 2024-08-14) |
Primary citation | Mueller, J.M. Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published, |
Experimental method | X-RAY DIFFRACTION (1.28 Å) |
Structure validation
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