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4FGX

Crystal structure of bace1 with novel inhibitor

Summary for 4FGX
Entry DOI10.2210/pdb4fgx/pdb
Related4FCO
DescriptorBeta-secretase 1, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, SULFATE ION, ... (6 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 chains2
Total formula weight49545.31
Authors
Chen, T.T.,Chen, W.Y.,Li, L.,Xu, Y.C. (deposition date: 2012-06-05, release date: 2013-01-16, Last modification date: 2021-09-15)
Primary citationLiu, Y.,Zhang, W.,Li, L.,Salvador, L.A.,Chen, T.,Chen, W.,Felsenstein, K.M.,Ladd, T.B.,Price, A.R.,Golde, T.E.,He, J.,Xu, Y.,Li, Y.,Luesch, H.
Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55:10749-10765, 2012
Cited by
PubMed: 23181502
DOI: 10.1021/jm301630s
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.59 Å)
Structure validation

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