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3DUY

Crystal structure of human beta-secretase in complex with NVP-AFJ144

Summary for 3DUY
Entry DOI10.2210/pdb3duy/pdb
Related3DV1 3DV5
DescriptorBeta-secretase 1, (2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide (3 entities in total)
Functional Keywordsbeta-secretase, bace1, memapsin2, enzyme inhibitor complex, alzheimer's disease, alternative splicing, aspartyl protease, glycoprotein, hydrolase, membrane, protease, transmembrane, zymogen
Biological sourceHomo sapiens
Cellular locationMembrane; Single-pass type I membrane protein: P56817
Total number of polymer chains3
Total formula weight135795.23
Authors
Rondeau, J.-M. (deposition date: 2008-07-18, release date: 2009-02-24, Last modification date: 2023-08-30)
Primary citationMachauer, R.,Veenstra, S.,Rondeau, J.M.,Tintelnot-Blomley, M.,Betschart, C.,Neumann, U.,Paganetti, P.
Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 19:1361-1365, 2009
Cited by
PubMed: 19195886
DOI: 10.1016/j.bmcl.2009.01.036
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.97 Å)
Structure validation

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