5YGX
Structure of BACE1 in complex with N-(3-((4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
Summary for 5YGX
Entry DOI | 10.2210/pdb5ygx/pdb |
Descriptor | Beta-secretase 1, IODIDE ION, GLYCEROL, ... (6 entities in total) |
Functional Keywords | beta secretase, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 47644.82 |
Authors | Nakahara, K.,Fuchino, K.,Komano, K.,Asada, N.,Tadano, G.,Hasegawa, T.,Yamamoto, T.,Sako, Y.,Ogawa, M.,Unemura, C.,Hosono, M.,Sakaguchi, G.,Ando, S.,Ohnishi, S.,Kido, Y.,Fukushima, T.,Dhuyvetter, D.,Borghys, H.,Gijsen, H.,Yamano, Y.,Iso, Y.,Kusakabe, K. (deposition date: 2017-09-27, release date: 2018-08-08, Last modification date: 2023-11-22) |
Primary citation | Nakahara, K.,Fuchino, K.,Komano, K.,Asada, N.,Tadano, G.,Hasegawa, T.,Yamamoto, T.,Sako, Y.,Ogawa, M.,Unemura, C.,Hosono, M.,Ito, H.,Sakaguchi, G.,Ando, S.,Ohnishi, S.,Kido, Y.,Fukushima, T.,Dhuyvetter, D.,Borghys, H.,Gijsen, H.J.M.,Yamano, Y.,Iso, Y.,Kusakabe, K.I. Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine beta-Secretase (BACE1) Inhibitors via Active Conformation Stabilization J. Med. Chem., 61:5525-5546, 2018 Cited by PubMed: 29775538DOI: 10.1021/acs.jmedchem.8b00011 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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