2V00

X-ray crystal structure of endothiapepsin complexed with compound 1

Summary for 2V00

Entry DOI	10.2210/pdb2v00/pdb
Related	1E5O 1E80 1E81 1E82 1EED 1ENT 1GKT 1GVT 1GVU 1GVV 1GVW 1GVX 1OD1 1OEW 1OEX
Descriptor	ENDOTHIAPEPSIN, GLYCEROL, ACETATE ION, ... (5 entities in total)
Functional Keywords	fragment hit, b- secretase, endothiapepsin, bace, zymogen, protease, hydrolase, isocytosine, alzheimer's disease, fragment-based lead generation, aspartyl protease, surrogate protein
Biological source	CRYPHONECTRIA PARASITICA (CHESTNUT BLIGHT FUNGUS)
Total number of polymer chains	1
Total formula weight	34423.48
Authors	Geschwindner, S.,Olsson, L.L.,Deinum, J.,Albert, J.S.,Edwards, P.D.,De Beer, T.,Folmer, R.H.A. (deposition date: 2007-05-03, release date: 2007-12-04, Last modification date: 2023-12-13)
Primary citation	Geschwindner, S.,Olsson, L.L.,Albert, J.S.,Deinum, J.,Edwards, P.D.,De Beer, T.,Folmer, R.H.A. Discovery of a Novel Warhead Against Beta-Secretase Through Fragment-Based Lead Generation. J.Med.Chem., 50:5903-, 2007 Cited by PubMed: 17985861 DOI: 10.1021/JM070825K PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.55 Å)

Structure validation