4R91

BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium

Summary for 4R91

Entry DOI	10.2210/pdb4r91/pdb
Related	4R8Y 4R92 4R93 4R95
Descriptor	Beta-secretase 1, L(+)-TARTARIC ACID, (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, ... (4 entities in total)
Functional Keywords	aspartic protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	2
Total formula weight	93605.26
Authors	Orth, P.,Caldwell, J.P.,Strickland, C. (deposition date: 2014-09-03, release date: 2014-11-05, Last modification date: 2014-12-17)
Primary citation	Caldwell, J.P.,Mazzola, R.D.,Durkin, J.,Chen, J.,Chen, X.,Favreau, L.,Kennedy, M.,Kuvelkar, R.,Lee, J.,McHugh, N.,McKittrick, B.,Orth, P.,Stamford, A.,Strickland, C.,Voigt, J.,Wang, L.,Zhang, L.,Zhang, Q.,Zhu, Z. Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24:5455-5459, 2014 Cited by PubMed: 25455483 DOI: 10.1016/j.bmcl.2014.10.006 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.58 Å)

Structure validation