3VV6

Crystal Structure of beta secetase in complex with 2-amino-3-methyl-6-((1S, 2R)-2-phenylcyclopropyl)pyrimidin-4(3H)-one

Summary for 3VV6

Entry DOI	10.2210/pdb3vv6/pdb
Related	3VV7 3VV8
Descriptor	Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total)
Functional Keywords	aspartyl protease, bace, bata 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	47637.23
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: 2017-11-22)
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: 22998419 DOI: 10.1021/jm3011405 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.05 Å)

Structure validation