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: 25613679 DOI: 10.1016/j.bmcl.2014.12.092 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation