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4JOO

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

Summary for 4JOO
Entry DOI10.2210/pdb4joo/pdb
Related4JP9 4JPC 4JPE
DescriptorBeta-secretase 1, NICKEL (II) ION, (4R)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one, ... (4 entities in total)
Functional Keywordsaspartyl protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein: P56817
Total number of polymer chains1
Total formula weight45900.71
Authors
Vigers, G.P.A.,Smith, D. (deposition date: 2013-03-18, release date: 2013-04-10, Last modification date: 2023-09-20)
Primary citationHunt, 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
Cited by
PubMed: 23537249
DOI: 10.1021/jm4002154
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.8 Å)
Structure validation

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