4IVS
Crystal structure of BACE1 with its inhibitor
Summary for 4IVS
Entry DOI | 10.2210/pdb4ivs/pdb |
Related | 4IVT |
Descriptor | Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide (3 entities in total) |
Functional Keywords | 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 | 48680.24 |
Authors | Chen, T.T.,Li, L.,Chen, W.Y.,Xu, Y.C. (deposition date: 2013-01-23, release date: 2013-11-13, Last modification date: 2023-11-08) |
Primary citation | Zou, Y.,Li, L.,Chen, W.Y.,Chen, T.T.,Ma, L.,Wang, X.,Xiong, B.,Xu, Y.C.,Shen, J. Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors Molecules, 18:5706-5722, 2013 Cited by PubMed: 23681056DOI: 10.3390/molecules18055706 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.636 Å) |
Structure validation
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