3SKF

Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with (2S)-2-((3S)-3-(acetylamino)-3-(butan-2-yl)-2-oxopyrrolidin-1-yl)-N-((2S,3R)-3-hydroxy-4-((3-methoxybenzyl)amino)-1-phenylbutan-2-yl)-4-phenylbutanamide

Summary for 3SKF

• Entry DOI: 10.2210/pdb3skf/pdb
• Related: 3R2F 3SKG
• Descriptor: Beta-secretase 1, (2S)-2-{(3S)-3-(acetylamino)-3-[(2S)-butan-2-yl]-2-oxopyrrolidin-1-yl}-N-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide, IODIDE ION, ... (4 entities in total)
• Functional Keywords: alzheimer's disease, bace, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 2
• Total formula weight: 101980.45

Authors

Muckelbauer, J.K. (deposition date: 2011-06-22, release date: 2011-08-31, Last modification date: 2011-11-02)

• Primary citation: Thompson, L.A.,Shi, J.,Decicco, C.P.,Tebben, A.J.,Olson, R.E.,Boy, K.M.,Guernon, J.M.,Good, A.C.,Liauw, A.,Zheng, C.,Copeland, R.A.,Combs, A.P.,Trainor, G.L.,Camac, D.M.,Muckelbauer, J.K.,Lentz, K.A.,Grace, J.E.,Burton, C.R.,Toyn, J.H.,Barten, D.M.,Marcinkeviciene, J.,Meredith, J.E.,Albright, C.F.,Macor, J.E.; Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors.; Bioorg.Med.Chem.Lett., 21:6909-6915, 2011; PubMed: 21974952; DOI: 10.1016/j.bmcl.2011.06.116

Experimental method

X-RAY DIFFRACTION (3 Å)