3FKT

Crystal Structure of Human Beta Secretase Complexed with Spiropiperdine Iminohydantoin Inhibitor

Replaces:  3E3W

Summary for 3FKT

• Entry DOI: 10.2210/pdb3fkt/pdb
• Descriptor: Beta-secretase 1, N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide (3 entities in total)
• Functional Keywords: aspartyl protease, bace, alternative splicing, 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: 45614.35

Authors

Munshi, S. (deposition date: 2008-12-17, release date: 2009-01-20, Last modification date: 2023-09-06)

• Primary citation: Barrow, J.C.,Stauffer, S.R.,Rittle, K.E.,Ngo, P.L.,Yang, M.S.,Graham, S.,McGaughey, G.,Holloway, K.,Tugusheva, S.K.,Lai, M.,Espeseth, A.S.,Xu, M.,Huang, Q.,Zuck, P.,Levorse, D.A.,Hazuda, D.,Vacca, J.P.; Discovery and X-ray Crystallographic Analysis of a Iminohydantoin Inhibitor of beta-Secretase; J.Med.Chem., 51:6259-6262, 2008; PubMed: 18811140; DOI: 10.1021/jm800914n

Experimental method

X-RAY DIFFRACTION (1.9 Å)