3DV1

Crystal structure of human beta-secretase in complex with NVP-ARV999

Summary for 3DV1

Entry DOI	10.2210/pdb3dv1/pdb
Related	3DUY 3DV5
Descriptor	Beta-secretase 1, (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide (3 entities in total)
Functional Keywords	beta-secretase, bace1, memapsin2, aspartic protease, enzyme inhibitor complex, alzheimer's disease, alternative splicing, aspartyl protease, glycoprotein, hydrolase, membrane, transmembrane, zymogen
Biological source	Homo sapiens
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	3
Total formula weight	135650.90
Authors	Rondeau, J.-M. (deposition date: 2008-07-18, release date: 2009-02-24, Last modification date: 2023-08-30)
Primary citation	Machauer, R.,Laumen, K.,Veenstra, S.,Rondeau, J.M.,Tintelnot-Blomley, M.,Betschart, C.,Jaton, A.L.,Desrayaud, S.,Staufenbiel, M.,Rabe, S.,Paganetti, P.,Neumann, U. Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo. Bioorg.Med.Chem.Lett., 19:1366-1370, 2009 Cited by PubMed: 19195887 DOI: 10.1016/j.bmcl.2009.01.055 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation