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6UVY

BACE-1 in complex with compound #18

Summary for 6UVY
Entry DOI10.2210/pdb6uvy/pdb
Related6UVV
DescriptorBeta-secretase 1, (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, GLYCEROL, ... (5 entities in total)
Functional Keywordsprotease, inhibitor, complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total formula weight99399.84
Authors
Hendle, J.,Timm, D.E. (deposition date: 2019-11-04, release date: 2019-12-11, Last modification date: 2023-10-11)
Primary citationWinneroski, L.L.,Erickson, J.A.,Green, S.J.,Lopez, J.E.,Stout, S.L.,Porter, W.J.,Timm, D.E.,Audia, J.E.,Barberis, M.,Beck, J.P.,Boggs, L.N.,Borders, A.R.,Boyer, R.D.,Brier, R.A.,Hembre, E.J.,Hendle, J.,Garcia-Losada, P.,Minguez, J.M.,Mathes, B.M.,May, P.C.,Monk, S.A.,Rankovic, Z.,Shi, Y.,Watson, B.M.,Yang, Z.,Mergott, D.J.
Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28:115194-115194, 2020
Cited by
PubMed: 31786008
DOI: 10.1016/j.bmc.2019.115194
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.71 Å)
Structure validation

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