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4DJX

Structure of BACE Bound to 5-(3-(5-chloropyridin-3-yl)phenyl)-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one

Summary for 4DJX
Entry DOI10.2210/pdb4djx/pdb
Related4DJU 4DJV 4DJW 4DJY
DescriptorBeta-secretase 1, (2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one, L(+)-TARTARIC ACID, ... (4 entities in total)
Functional Keywordsbace1, alzheimers, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein: P56817
Total number of polymer chains2
Total formula weight93481.64
Authors
Strickland, C.,Cumming, J. (deposition date: 2012-02-02, release date: 2012-03-21, Last modification date: 2012-04-04)
Primary citationCumming, J.N.,Smith, E.M.,Wang, L.,Misiaszek, J.,Durkin, J.,Pan, J.,Iserloh, U.,Wu, Y.,Zhu, Z.,Strickland, C.,Voigt, J.,Chen, X.,Kennedy, M.E.,Kuvelkar, R.,Hyde, L.A.,Cox, K.,Favreau, L.,Czarniecki, M.F.,Greenlee, W.J.,McKittrick, B.A.,Parker, E.M.,Stamford, A.W.
Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22:2444-2449, 2012
Cited by
PubMed: 22390835
DOI: 10.1016/j.bmcl.2012.02.013
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.5 Å)
Structure validation

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数据于2024-03-27公开中

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