8C71
Pyrrolidine fragment 5b bound to endothiapepsin
Summary for 8C71
Entry DOI | 10.2210/pdb8c71/pdb |
Descriptor | Endothiapepsin, GLYCEROL, (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol, ... (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 | 43589.05 |
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 (1.1 Å) |
Structure validation
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