4LHH
Endothiapepsin in complex with 2mM acylhydrazone inhibitor
Summary for 4LHH
| Entry DOI | 10.2210/pdb4lhh/pdb |
| Related | 3T7P 4KUP 4LBT |
| Descriptor | Endothiapepsin, (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, GLYCEROL, ... (6 entities in total) |
| Functional Keywords | hydrolase, aspartic protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
| Biological source | Cryphonectria parasitica (Chesnut blight fungus) |
| Total number of polymer chains | 1 |
| Total formula weight | 34883.16 |
| Authors | Radeva, N.,Heine, A.,Klebe, G. (deposition date: 2013-07-01, release date: 2014-04-02, Last modification date: 2023-09-20) |
| Primary citation | Mondal, M.,Radeva, N.,Koster, H.,Park, A.,Potamitis, C.,Zervou, M.,Klebe, G.,Hirsch, A.K. Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry. Angew.Chem.Int.Ed.Engl., 53:3259-3263, 2014 Cited by PubMed: 24532096DOI: 10.1002/anie.201309682 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.73 Å) |
Structure validation
Download full validation report
