3VV8
Crystal structure of beta secetase in complex with 2-amino-3-methyl-6-((1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin-4(3H)-one
Summary for 3VV8
Entry DOI | 10.2210/pdb3vv8/pdb |
Related | 3VV6 3VV7 |
Descriptor | Beta-secretase 1, GLYCEROL, 2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one, ... (4 entities in total) |
Functional Keywords | aspartyl protease, base, beta-secretase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 1 |
Total formula weight | 46816.55 |
Authors | Yonezawa, S.,Yamamoto, T.,Yamakawa, H.,Muto, C.,Hosono, M.,Hattori, K.,Higashino, K.,Sakagami, M.,Togame, H.,Tanaka, Y.,Nakano, T.,Takemoto, H.,Arisawa, M.,Shuto, S. (deposition date: 2012-07-17, release date: 2012-10-24, Last modification date: 2013-09-04) |
Primary citation | Yonezawa, S.,Yamamoto, T.,Yamakawa, H.,Muto, C.,Hosono, M.,Hattori, K.,Higashino, K.,Yutsudo, T.,Iwamoto, H.,Kondo, Y.,Sakagami, M.,Togame, H.,Tanaka, Y.,Nakano, T.,Takemoto, H.,Arisawa, M.,Shuto, S. Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode. J.Med.Chem., 55:8838-8858, 2012 Cited by PubMed: 22998419DOI: 10.1021/jm3011405 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.5 Å) |
Structure validation
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