4XKX
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-azaxanthene inhibitor 28
Summary for 4XKX
Entry DOI | 10.2210/pdb4xkx/pdb |
Related | 4RCD 4RCE 4RCF 4WTU |
Descriptor | Beta-secretase 1, IODIDE ION, (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, ... (5 entities in total) |
Functional Keywords | aspartic 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 | 46957.65 |
Authors | Whittington, D.A.,Long, A.M. (deposition date: 2015-01-12, release date: 2015-02-04, Last modification date: 2023-09-27) |
Primary citation | Chen, J.J.,Liu, Q.,Yuan, C.,Gore, V.,Lopez, P.,Ma, V.,Amegadzie, A.,Qian, W.,Judd, T.C.,Minatti, A.E.,Brown, J.,Cheng, Y.,Xue, M.,Zhong, W.,Dineen, T.A.,Epstein, O.,Human, J.,Kreiman, C.,Marx, I.,Weiss, M.M.,Hitchcock, S.A.,Powers, T.S.,Chen, K.,Wen, P.H.,Whittington, D.A.,Cheng, A.C.,Bartberger, M.D.,Hickman, D.,Werner, J.A.,Vargas, H.M.,Everds, N.E.,Vonderfecht, S.L.,Dunn, R.T.,Wood, S.,Fremeau, R.T.,White, R.D.,Patel, V.F. Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious beta-secretase inhibitors for the potential treatment of Alzheimer's disease. Bioorg.Med.Chem.Lett., 25:767-774, 2015 Cited by PubMed: 25613679DOI: 10.1016/j.bmcl.2014.12.092 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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