3IN4
Bace1 with Compound 38
Summary for 3IN4
Entry DOI | 10.2210/pdb3in4/pdb |
Related | 3IN3 |
Descriptor | Beta-secretase 1, (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one (3 entities in total) |
Functional Keywords | bace-1, inhibitor, alternative splicing, aspartyl protease, disulfide bond, glycoprotein, hydrolase, membrane, polymorphism, protease, transmembrane, zymogen |
Biological source | Homo sapiens (human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 1 |
Total formula weight | 46841.46 |
Authors | Olland, A.M. (deposition date: 2009-08-11, release date: 2010-01-19, Last modification date: 2024-10-16) |
Primary citation | Malamas, M.S.,Barnes, K.,Johnson, M.,Hui, Y.,Zhou, P.,Turner, J.,Hu, Y.,Wagner, E.,Fan, K.,Chopra, R.,Olland, A.,Bard, J.,Pangalos, M.,Reinhart, P.,Robichaud, A.J. Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem., 18:630-639, 2010 Cited by PubMed: 20045648DOI: 10.1016/j.bmc.2009.12.007 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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