3CID

Structure of BACE Bound to SCH726222

Summary for 3CID

Entry DOI	10.2210/pdb3cid/pdb
Related	2QK5 2QKJ 2QMD 3CIB 3CIC
Descriptor	Beta-secretase 1, N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide, D(-)-TARTARIC ACID, ... (4 entities in total)
Functional Keywords	bace1, aspartyl protease, hydrolase
Biological source	Homo sapiens (human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	2
Total formula weight	88515.59
Authors	Strickland, C.,Cumming, J. (deposition date: 2008-03-11, release date: 2008-06-10, Last modification date: 2017-10-25)
Primary citation	Cumming, J.N.,Le, T.X.,Babu, S.,Carroll, C.,Chen, X.,Favreau, L.,Gaspari, P.,Guo, T.,Hobbs, D.W.,Huang, Y.,Iserloh, U.,Kennedy, M.E.,Kuvelkar, R.,Li, G.,Lowrie, J.,McHugh, N.A.,Ozgur, L.,Pan, J.,Parker, E.M.,Saionz, K.,Stamford, A.W.,Strickland, C.,Tadesse, D.,Voigt, J.,Wang, L.,Wu, Y.,Zhang, L.,Zhang, Q. Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors Bioorg.Med.Chem.Lett., 18:3236-3241, 2008 Cited by PubMed: 18468890 DOI: 10.1016/j.bmcl.2008.04.050 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation