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: 25699151DOI: 10.1021/ml500458t PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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