3DUY
Crystal structure of human beta-secretase in complex with NVP-AFJ144
Summary for 3DUY
Entry DOI | 10.2210/pdb3duy/pdb |
Related | 3DV1 3DV5 |
Descriptor | Beta-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 Keywords | beta-secretase, bace1, memapsin2, enzyme inhibitor complex, alzheimer's disease, alternative splicing, aspartyl protease, glycoprotein, hydrolase, membrane, protease, transmembrane, zymogen |
Biological source | Homo sapiens |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 3 |
Total formula weight | 135795.23 |
Authors | Rondeau, J.-M. (deposition date: 2008-07-18, release date: 2009-02-24, Last modification date: 2023-08-30) |
Primary citation | Machauer, 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: 19195886DOI: 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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