6JSN

Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide

Summary for 6JSN

• Entry DOI: 10.2210/pdb6jsn/pdb
• Related: 6JSE 6JSF 6JSG 6JSZ
• Descriptor: Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total)
• Functional Keywords: gs-hbace1(43-454), hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 47758.13

Authors

Fujimoto, K.,Matsuoka, E.,Asada, N.,Tadano, G.,Yamamoto, T.,Nakahara, K.,Fuchino, K.,Ito, H.,Kanegawa, N.,Moechars, D.,Gijsen, H.J.M.,Kusakabe, K.I. (deposition date: 2019-04-08, release date: 2019-08-28, Last modification date: 2023-11-22)

• Primary citation: Fujimoto, K.,Matsuoka, E.,Asada, N.,Tadano, G.,Yamamoto, T.,Nakahara, K.,Fuchino, K.,Ito, H.,Kanegawa, N.,Moechars, D.,Gijsen, H.J.M.,Kusakabe, K.I.; Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.; J.Med.Chem., 62:5080-5095, 2019; PubMed: 31021626; DOI: 10.1021/acs.jmedchem.9b00309

Experimental method

X-RAY DIFFRACTION (2.6 Å)