5OJE
Endothiapepsin with Ligand VSK-B24
Summary for 5OJE
Entry DOI | 10.2210/pdb5oje/pdb |
Descriptor | Endothiapepsin, (2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide, DIMETHYL SULFOXIDE, ... (7 entities in total) |
Functional Keywords | protein templated dcc, bioisostere, inhibitor, endothiapepsin, peptide binding protein, hydrolase |
Biological source | Cryphonectria parasitica (Chestnut blight fungus) |
Total number of polymer chains | 1 |
Total formula weight | 34579.79 |
Authors | Gierse, R.M.,Magari, F.,Groves, M.R.,Heine, A.,Klebe, G.,Hirsch, A. (deposition date: 2017-07-21, release date: 2018-09-12, Last modification date: 2018-11-21) |
Primary citation | Jumde, V.R.,Mondal, M.,Gierse, R.M.,Unver, M.Y.,Magari, F.,van Lier, R.C.W.,Heine, A.,Klebe, G.,Hirsch, A.K.H. Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin. ChemMedChem, 13:2266-2270, 2018 Cited by PubMed: 30178575DOI: 10.1002/cmdc.201800446 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.579 Å) |
Structure validation
Download full validation report![Download](/newweb/media/icons/dl.png)
![Download](/newweb/media/icons/dl.png)