4FRJ
Crystal structure of BACE1 in complex with aminooxazoline xanthene 9l
Summary for 4FRJ
Entry DOI | 10.2210/pdb4frj/pdb |
Related | 4FRI 4FRK |
Descriptor | Beta-secretase 1, IODIDE ION, (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine, ... (6 entities in total) |
Functional Keywords | membrane protein, alzheimer's disease, aspartic protease, hydrolase-inhibitor complex, 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 | 46657.30 |
Authors | Whittington, D.A.,Long, A.M. (deposition date: 2012-06-26, release date: 2012-09-12, Last modification date: 2012-12-12) |
Primary citation | Huang, H.,La, D.S.,Cheng, A.C.,Whittington, D.A.,Patel, V.F.,Chen, K.,Dineen, T.A.,Epstein, O.,Graceffa, R.,Hickman, D.,Kiang, Y.H.,Louie, S.,Luo, Y.,Wahl, R.C.,Wen, P.H.,Wood, S.,Fremeau, R.T. Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease. J.Med.Chem., 55:9156-9169, 2012 Cited by PubMed: 22928914DOI: 10.1021/jm300598e PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.95 Å) |
Structure validation
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