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7D2V

Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide

Summary for 7D2V
Entry DOI10.2210/pdb7d2v/pdb
DescriptorBeta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total)
Functional Keywordsbace1, hydrolase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight47367.35
Authors
Primary citationFujimoto, K.,Yoshida, S.,Tadano, G.,Asada, N.,Fuchino, K.,Suzuki, S.,Matsuoka, E.,Yamamoto, T.,Yamamoto, S.,Ando, S.,Kanegawa, N.,Tonomura, Y.,Ito, H.,Moechars, D.,Rombouts, F.J.R.,Gijsen, H.J.M.,Kusakabe, K.I.
Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64:3075-3085, 2021
Cited by
PubMed: 33719429
DOI: 10.1021/acs.jmedchem.0c01858
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.1 Å)
Structure validation

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