2F3E
Crystal Structure of the Bace complex with AXQ093, a macrocyclic inhibitor
Summary for 2F3E
Entry DOI | 10.2210/pdb2f3e/pdb |
Related | 2F3F |
Descriptor | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER (3 entities in total) |
Functional Keywords | beta-secretase, memapsin2, alzheimer's disease, aspartic protease, macrocyclic peptidomimetic inhibitor, hydrolase |
Biological source | Homo sapiens (human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 3 |
Total formula weight | 136353.79 |
Authors | Rondeau, J.-M. (deposition date: 2005-11-21, release date: 2006-09-05, Last modification date: 2017-10-18) |
Primary citation | Hanessian, S.,Yang, G.,Rondeau, J.-M.,Neumann, U.,Betschart, C.,Tintelnot-Blomley, M. Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE). J.Med.Chem., 49:4544-4567, 2006 Cited by PubMed: 16854060DOI: 10.1021/jm060154a PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.11 Å) |
Structure validation
Download full validation report