6UWV

BACE-1 in complex with compound #34

Summary for 6UWV

• Entry DOI: 10.2210/pdb6uwv/pdb
• Related: 6UWP
• Descriptor: Beta-secretase 1, (4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, GLYCEROL, ... (5 entities in total)
• Functional Keywords: protease, inhibitor, complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 99392.00

Authors

Hendle, J.,Stout, S.L. (deposition date: 2019-11-05, release date: 2019-12-11, Last modification date: 2023-10-11)

• Primary citation: Winneroski, 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; PubMed: 31786008; DOI: 10.1016/j.bmc.2019.115194

Experimental method

X-RAY DIFFRACTION (1.47 Å)