6EQM

Crystal Structure of Human BACE-1 in Complex with CNP520

Summary for 6EQM

• Entry DOI: 10.2210/pdb6eqm/pdb
• Descriptor: Beta-secretase 1, ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide (3 entities in total)
• Functional Keywords: structure-based drug design, alzheimer's disease, aspartic acid proteinase, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 45291.13

Authors

Rondeau, J.-M.,Wirth, E. (deposition date: 2017-10-13, release date: 2018-09-19, Last modification date: 2018-11-21)

• Primary citation: Neumann, U.,Ufer, M.,Jacobson, L.H.,Rouzade-Dominguez, M.L.,Huledal, G.,Kolly, C.,Luond, R.M.,Machauer, R.,Veenstra, S.J.,Hurth, K.,Rueeger, H.,Tintelnot-Blomley, M.,Staufenbiel, M.,Shimshek, D.R.,Perrot, L.,Frieauff, W.,Dubost, V.,Schiller, H.,Vogg, B.,Beltz, K.,Avrameas, A.,Kretz, S.,Pezous, N.,Rondeau, J.M.,Beckmann, N.,Hartmann, A.,Vormfelde, S.,David, O.J.,Galli, B.,Ramos, R.,Graf, A.,Lopez Lopez, C.; The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease.; EMBO Mol Med, 10:-, 2018; PubMed: 30224383; DOI: 10.15252/emmm.201809316

Experimental method

X-RAY DIFFRACTION (1.35 Å)