4GMI
BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571
Summary for 4GMI
Entry DOI | 10.2210/pdb4gmi/pdb |
Related | 4DPF 4DPI |
Descriptor | Beta-secretase 1, (4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, ACETATE ION, ... (5 entities in total) |
Functional Keywords | bace-1, asp2, bace, macrocycle, hydrolase, 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 | 44263.99 |
Authors | |
Primary citation | Sandgren, V.,Belda, O.,Johansson, P.O.,Kvarnstrom, I.,Lindberg, J.,Dahlgren, A.,Samuelsson, B. Design and synthesis of novel BACE-1 inhibitors To be Published, |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
Download full validation report