6PZ4

co-crystal structure of BACE with inhibitor AM-6494

Summary for 6PZ4

Entry DOI	10.2210/pdb6pz4/pdb
Descriptor	Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total)
Functional Keywords	bace, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	46916.87
Authors	Huang, X. (deposition date: 2019-07-31, release date: 2019-10-23, Last modification date: 2020-03-25)
Primary citation	Pettus, L.H.,Bourbeau, M.P.,Bradley, J.,Bartberger, M.D.,Chen, K.,Hickman, D.,Johnson, M.,Liu, Q.,Manning, J.R.,Nanez, A.,Siegmund, A.C.,Wen, P.H.,Whittington, D.A.,Allen, J.R.,Wood, S. Discovery of AM-6494: A Potent and Orally Efficacious beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor with in Vivo Selectivity over BACE2. J.Med.Chem., 63:2263-2281, 2020 Cited by PubMed: 31589043 DOI: 10.1021/acs.jmedchem.9b01034 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.85 Å)

Structure validation