2P8H

Crystal structure of human beta secretase complexed with inhibitor

Summary for 2P8H

• Entry DOI: 10.2210/pdb2p8h/pdb
• Descriptor: Beta-secretase 1, N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE (3 entities in total)
• Functional Keywords: aspartyl protease, bace, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 1
• Total formula weight: 45776.51

Authors

Munshi, S. (deposition date: 2007-03-22, release date: 2007-08-14, Last modification date: 2023-08-30)

• Primary citation: Barrow, J.C.,Rittle, K.E.,Ngo, P.L.,Selnick, H.G.,Graham, S.L.,Pitzenberger, S.M.,McGaughey, G.B.,Colussi, D.,Lai, M.T.,Huang, Q.,Tugusheva, K.,Espeseth, A.S.,Simon, A.J.,Munshi, S.K.,Vacca, J.P.; Design and Synthesis of 2,3,5-Substituted Imidazolidin-4-one Inhibitors of BACE-1.; Chemmedchem, 2:995-999, 2007; PubMed: 17458843; DOI: 10.1002/cmdc.200700038

Experimental method

X-RAY DIFFRACTION (1.8 Å)