8Q0Y
Endothiapepsin in complex with ligand (3R,5R)-5-(3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-085.1)
Summary for 8Q0Y
Entry DOI | 10.2210/pdb8q0y/pdb |
Descriptor | Endothiapepsin, DIMETHYL SULFOXIDE, (3~{R},5~{R})-5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, ... (6 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 | 34837.02 |
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 (1.23 Å) |
Structure validation
Download full validation report![Download](/newweb/media/icons/dl.png)
![Download](/newweb/media/icons/dl.png)