7F1G
BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
Summary for 7F1G
Entry DOI | 10.2210/pdb7f1g/pdb |
Descriptor | Beta-secretase 2, XAPERONE, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, ... (4 entities in total) |
Functional Keywords | beta-secretase 2, hydrolase |
Biological source | Homo sapiens (Human) More |
Total number of polymer chains | 2 |
Total formula weight | 54508.15 |
Authors | Ueno, T.,Matsuoka, E.,Asada, N.,Yamamoto, S.,Kanegawa, N.,Ito, M.,Ito, H.,Moechars, D.,Rombouts, F.J.R.,Gijsen, H.J.M.,Kusakabe, K.I. (deposition date: 2021-06-09, release date: 2022-02-23) |
Primary citation | Ueno, T.,Matsuoka, E.,Asada, N.,Yamamoto, S.,Kanegawa, N.,Ito, M.,Ito, H.,Moechars, D.,Rombouts, F.J.R.,Gijsen, H.J.M.,Kusakabe, K.I. Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions. J.Med.Chem., 64:14165-14174, 2021 Cited by PubMed: 34553947DOI: 10.1021/acs.jmedchem.1c00359 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.5 Å) |
Structure validation
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