3WZ7
Endothiapepsin in complex with Gewald reaction-derived inhibitor (6)
Summary for 3WZ7
Entry DOI | 10.2210/pdb3wz7/pdb |
Related | 3WZ6 3WZ8 |
Descriptor | Endothiapepsin, N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, DIMETHYL SULFOXIDE, ... (4 entities in total) |
Functional Keywords | 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 | 34378.62 |
Authors | Kuhnert, M.,Steuber, H.,Diederich, W.E. (deposition date: 2014-09-19, release date: 2015-08-05, Last modification date: 2023-11-08) |
Primary citation | Kuhnert, M.,Koster, H.,Bartholomaus, R.,Park, A.Y.,Shahim, A.,Heine, A.,Steuber, H.,Klebe, G.,Diederich, W.E. Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors Angew.Chem.Int.Ed.Engl., 54:2849-2853, 2015 Cited by PubMed: 25630461DOI: 10.1002/anie.201411206 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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