4RCD
Crystal structure of BACE1 in complex with a 2-aminooxazoline 4-azaxanthene inhibitor
Summary for 4RCD
Entry DOI | 10.2210/pdb4rcd/pdb |
Related | 4RCE 4RCF |
Descriptor | Beta-secretase 1, (5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine, IODIDE ION, ... (5 entities in total) |
Functional Keywords | aspartyl protease, alzheimer's disease, app, amyloid precursor protein, brain, 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 | 46829.79 |
Authors | |
Primary citation | Dineen, T.A.,Chen, K.,Cheng, A.C.,Derakhchan, K.,Epstein, O.,Esmay, J.,Hickman, D.,Kreiman, C.E.,Marx, I.E.,Wahl, R.C.,Wen, P.H.,Weiss, M.M.,Whittington, D.A.,Wood, S.,Fremeau, R.T.,White, R.D.,Patel, V.F. Inhibitors of beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1): Identification of (S)-7-(2-Fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine (AMG-8718). J.Med.Chem., 57:9811-9831, 2014 Cited by PubMed: 25363711DOI: 10.1021/jm5012676 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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