1XS7

Crystal Structure of a cycloamide-urethane-derived novel inhibitor bound to human brain memapsin 2 (beta-secretase).

Summary for 1XS7

Entry DOI	10.2210/pdb1xs7/pdb
Descriptor	Beta-secretase 1, N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4 -ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE (2 entities in total)
Functional Keywords	beta secretase, memapsin2, bace, asp2, aspartic protease, acid protease, alzheimer's disease, drug design, hydrolase
Biological source	Homo sapiens (human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	1
Total formula weight	44043.74
Authors	Ghosh, A.,Devasamudram, T.,Hong, L.,DeZutter, C.,Xu, X.,Weerasena, V.,Koelsch, G.,Bilcer, G.,Tang, J. (deposition date: 2004-10-18, release date: 2004-12-21, Last modification date: 2023-08-23)
Primary citation	Ghosh, A.K.,Devasamudram, T.,Hong, L.,Dezutter, C.,Xu, X.,Weerasena, V.,Koelsch, G.,Bilcer, G.,Tang, J. Structure-based design of cycloamide-urethane-derived novel inhibitors of human brain memapsin 2 (beta-secretase). Bioorg.Med.Chem.Lett., 15:15-20, 2005 Cited by PubMed: 15582402 DOI: 10.1016/j.bmcl.2004.10.084 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.8 Å)

Structure validation