4WTU

Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22

Summary for 4WTU

Entry DOI	10.2210/pdb4wtu/pdb
Related	4RCD 4RCE 4RCF
Descriptor	Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total)
Functional Keywords	aspartic protease, amyloid precursor protein, alzheimer's disease, 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	46962.67
Authors	Whittington, D.A.,Long, A.M. (deposition date: 2014-10-30, release date: 2015-03-04, Last modification date: 2023-09-27)
Primary citation	Cheng, Y.,Brown, J.,Judd, T.C.,Lopez, P.,Qian, W.,Powers, T.S.,Chen, J.J.,Bartberger, M.D.,Chen, K.,Dunn, R.T.,Epstein, O.,Fremeau, R.T.,Harried, S.,Hickman, D.,Hitchcock, S.A.,Luo, Y.,Minatti, A.E.,Patel, V.F.,Vargas, H.M.,Wahl, R.C.,Weiss, M.M.,Wen, P.H.,White, R.D.,Whittington, D.A.,Zheng, X.M.,Wood, S. An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities. Acs Med.Chem.Lett., 6:210-215, 2015 Cited by PubMed: 25699151 DOI: 10.1021/ml500458t PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.85 Å)

Structure validation