8C6Q
Fragment screening hit II bound to endothiapepsin
Summary for 8C6Q
Entry DOI | 10.2210/pdb8c6q/pdb |
Descriptor | Endothiapepsin, GLYCEROL, 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, ... (4 entities in total) |
Functional Keywords | fragment, complex, screening, protease, hydrolase |
Biological source | Cryphonectria parasitica (chestnut blight fungus) |
Total number of polymer chains | 1 |
Total formula weight | 43611.97 |
Authors | Wiese, J.N.,Buehrmann, M.,Mueller, M.P.,Rauh, D. (deposition date: 2023-01-12, release date: 2023-05-24) |
Primary citation | Buhrmann, M.,Kallepu, S.,Warmuth, J.D.,Wiese, J.N.,Ehrt, C.,Vatheuer, H.,Hiller, W.,Seitz, C.,Levy, L.,Czodrowski, P.,Sievers, S.,Muller, M.P.,Rauh, D. Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66:6297-6314, 2023 Cited by PubMed: 37130057DOI: 10.1021/acs.jmedchem.3c00187 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.25 Å) |
Structure validation
Download full validation report