2VKM

Crystal structure of GRL-8234 bound to BACE (Beta-secretase)

Summary for 2VKM

Entry DOI	10.2210/pdb2vkm/pdb
Related	1FKN 1M4H 1PY1 1SGZ 1TQF 1UJJ 1UJK 1W50 1W51 1XN2 1XN3 1XS7 1YM2 1YM4 2B8L 2B8V 2VA5 2VA6 2VA7 2VIE 2VIJ 2VIY 2VIZ 2VJ6 2VJ7
Descriptor	BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide (3 entities in total)
Functional Keywords	alternative splicing, aspartyl protease, aspartic protease, glycoprotein, transmembrane, beta secretase, app, bace, a-beta, x- ray, zymogen, membrane, protease, memapsin, hydrolase, alzheimer, drug design
Biological source	HOMO SAPIENS (HUMAN)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	4
Total formula weight	175886.45
Authors	Hong, L.,Tang, J.,Ghosh, A.K. (deposition date: 2007-12-04, release date: 2008-12-16, Last modification date: 2023-12-13)
Primary citation	Ghosh, A.K.,Kumaragurubaran, N.,Hong, L.,Kulkarni, S.,Xu, X.,Miller, H.B.,Reddy, D.S.,Weerasena, V.,Turner, R.,Chang, W.,Koelsch, G.,Tang, J. Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation. Bioorg.Med.Chem.Lett., 18:1031-, 2008 Cited by PubMed: 18180160 DOI: 10.1016/J.BMCL.2007.12.028 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.05 Å)

Structure validation