4JPC

Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors

Summary for 4JPC

• Entry DOI: 10.2210/pdb4jpc/pdb
• Related: 4JOO 4JP9 4JPE
• Descriptor: Beta-secretase 1, NICKEL (II) ION, 3-[(4R)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile, ... (4 entities in total)
• Functional Keywords: aspartyl 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: 1
• Total formula weight: 45864.22

Authors

Vigers, G.P.A.,Smith, D. (deposition date: 2013-03-19, release date: 2013-04-10, Last modification date: 2023-09-20)

• Primary citation: Hunt, K.W.,Cook, A.W.,Watts, R.J.,Clark, C.T.,Vigers, G.,Smith, D.,Metcalf, A.T.,Gunawardana, I.W.,Burkard, M.,Cox, A.A.,Geck Do, M.K.,Dutcher, D.,Thomas, A.A.,Rana, S.,Kallan, N.C.,DeLisle, R.K.,Rizzi, J.P.,Regal, K.,Sammond, D.,Groneberg, R.,Siu, M.,Purkey, H.,Lyssikatos, J.P.,Marlow, A.,Liu, X.,Tang, T.P.; Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.; J.Med.Chem., 56:3379-3403, 2013; PubMed: 23537249; DOI: 10.1021/jm4002154

Experimental method

X-RAY DIFFRACTION (1.8 Å)