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: 30178575 DOI: 10.1002/cmdc.201800446 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.579 Å)

Structure validation