3RTM

Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide

Summary for 3RTM

• Entry DOI: 10.2210/pdb3rtm/pdb
• Related: 3RSV 3RSX 3RTH 3RTN
• Descriptor: Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total)
• Functional Keywords: aspartyl protease, 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: 1
• Total formula weight: 46698.77

Authors

Sickmier, E.A. (deposition date: 2011-05-03, release date: 2011-08-31)

• Primary citation: Cheng, Y.,Judd, T.C.,Bartberger, M.D.,Brown, J.,Chen, K.,Fremeau, R.T.,Hickman, D.,Hitchcock, S.A.,Jordan, B.,Li, V.,Lopez, P.,Louie, S.W.,Luo, Y.,Michelsen, K.,Nixey, T.,Powers, T.S.,Rattan, C.,Sickmier, E.A.,St Jean, D.J.,Wahl, R.C.,Wen, P.H.,Wood, S.; From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).; J.Med.Chem., 54:5836-5857, 2011; PubMed: 21707077; DOI: 10.1021/jm200544q

Experimental method

X-RAY DIFFRACTION (2.76 Å)