7DCZ
Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-4H-1,3-thiazin-4-yl]-4- fluorophenyl}-5-cyanopyridine-2-carboxamide
Summary for 7DCZ
Entry DOI | 10.2210/pdb7dcz/pdb |
Descriptor | Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total) |
Functional Keywords | bace1, hydrolase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 47360.15 |
Authors | Koriyama, Y.,Hori, A.,Ito, H.,Yonezawa, S.,Baba, Y.,Tanimoto, N.,Ueno, T.,Yamamoto, S.,Yamamoto, T.,Asada, N.,Morimoto, K.,Einaru, S.,Sakai, K.,Kanazu, T.,Matsuda, A.,Yamaguchi, Y.,Oguma, T.,Timmers, M.,Tritsmans, L.,Kusakabe, K.I.,Kato, A.,Sakaguchi, G. (deposition date: 2020-10-27, release date: 2021-03-10, Last modification date: 2023-11-29) |
Primary citation | Koriyama, Y.,Hori, A.,Ito, H.,Yonezawa, S.,Baba, Y.,Tanimoto, N.,Ueno, T.,Yamamoto, S.,Yamamoto, T.,Asada, N.,Morimoto, K.,Einaru, S.,Sakai, K.,Kanazu, T.,Matsuda, A.,Yamaguchi, Y.,Oguma, T.,Timmers, M.,Tritsmans, L.,Kusakabe, K.I.,Kato, A.,Sakaguchi, G. Discovery of Atabecestat (JNJ-54861911): A Thiazine-Based beta-Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor Advanced to the Phase 2b/3 EARLY Clinical Trial. J.Med.Chem., 64:1873-1888, 2021 Cited by PubMed: 33588527DOI: 10.1021/acs.jmedchem.0c01917 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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