6OD6

Structure of BACE-1 in complex with Ligand 13

Summary for 6OD6

• Entry DOI: 10.2210/pdb6od6/pdb
• Descriptor: Beta-secretase 1, N-{3-[(3R)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, GLYCEROL, ... (4 entities in total)
• Functional Keywords: bace protease, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 3
• Total formula weight: 145590.67

Authors

Shaffer, P.L. (deposition date: 2019-03-26, release date: 2019-09-25, Last modification date: 2024-03-13)

• Primary citation: Oehlrich, D.,Peschiulli, A.,Tresadern, G.,Van Gool, M.,Vega, J.A.,De Lucas, A.I.,Alonso de Diego, S.A.,Prokopcova, H.,Austin, N.,Van Brandt, S.,Surkyn, M.,De Cleyn, M.,Vos, A.,Rombouts, F.J.R.,Macdonald, G.,Moechars, D.,Gijsen, H.J.M.,Trabanco, A.A.; Evaluation of a Series of beta-Secretase 1 Inhibitors Containing Novel Heteroaryl-Fused-Piperazine Amidine Warheads.; Acs Med.Chem.Lett., 10:1159-1165, 2019; PubMed: 31413800; DOI: 10.1021/acsmedchemlett.9b00181

Experimental method

X-RAY DIFFRACTION (2 Å)