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4IVS

Crystal structure of BACE1 with its inhibitor

Summary for 4IVS
Entry DOI10.2210/pdb4ivs/pdb
Related4IVT
DescriptorBeta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide (3 entities in total)
Functional Keywordshydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein: P56817
Total number of polymer chains1
Total formula weight48680.24
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 citationZou, 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: 23681056
DOI: 10.3390/molecules18055706
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.636 Å)
Structure validation

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