4GID
Structure of beta-secretase complexed with inhibitor
Summary for 4GID
Entry DOI | 10.2210/pdb4gid/pdb |
Related | 1fkn 2g94 2vkm |
Descriptor | Beta-secretase 1, N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide, L-PROLINAMIDE, ... (4 entities in total) |
Functional Keywords | aspartic protease, beta secretase, app, bace, a-beta, protease, memapsin, alzheimer, drug design, 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 | 4 |
Total formula weight | 176142.97 |
Authors | Ghosh, A.,Tang, J.,Venkateswara, R.K.,Yadav, N.,Anderson, D.,Gavande, N.,Huang, X.,Terzyan, S. (deposition date: 2012-08-08, release date: 2012-10-10, Last modification date: 2023-09-13) |
Primary citation | Ghosh, A.K.,Venkateswara Rao, K.,Yadav, N.D.,Anderson, D.D.,Gavande, N.,Huang, X.,Terzyan, S.,Tang, J. Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure. J.Med.Chem., 55:9195-9207, 2012 Cited by PubMed: 22954357DOI: 10.1021/jm3008823 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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