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 Cited by PubMed: 31021626DOI: 10.1021/acs.jmedchem.9b00309 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.6 Å) |
Structure validation
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