5MCO

CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE INHIBITOR GRL-8234 AND EXOSITE PEPTIDE

Summary for 5MCO

• Entry DOI: 10.2210/pdb5mco/pdb
• Related: 5MBW
• Descriptor: Beta-secretase 1, BACE-1 EXOSITE PEPTIDE, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide, ... (4 entities in total)
• Functional Keywords: protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase
• Biological source: Homo sapiens (Human); More
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 2
• Total formula weight: 47622.51

Authors

Kuglstatter, A.,Stihle, M.,Benz, J. (deposition date: 2016-11-10, release date: 2017-09-27, Last modification date: 2024-05-01)

• Primary citation: Ruderisch, N.,Schlatter, D.,Kuglstatter, A.,Guba, W.,Huber, S.,Cusulin, C.,Benz, J.,Rufer, A.C.,Hoernschemeyer, J.,Schweitzer, C.,Bulau, T.,Gartner, A.,Hoffmann, E.,Niewoehner, J.,Patsch, C.,Baumann, K.,Loetscher, H.,Kitas, E.,Freskgard, P.O.; Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.; EBioMedicine, 24:76-92, 2017; PubMed: 28923680; DOI: 10.1016/j.ebiom.2017.09.004

Experimental method

X-RAY DIFFRACTION (2.49 Å)