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: 33588527 DOI: 10.1021/acs.jmedchem.0c01917 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation