4TRZ

Structure of BACE1 complex with 2-thiophenyl HEA-type inhibitor

Summary for 4TRZ

• Entry DOI: 10.2210/pdb4trz/pdb
• Related: 4TRW 4TRY
• Related PRD ID: PRD_002107
• Descriptor: Beta-secretase 1, 2-thiophenyl HEA-type inhibitor (3 entities in total)
• Functional Keywords: hydrase proteinase converting, designed inhibitor, hydrase-inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 6
• Total formula weight: 131891.09

Authors

Akaji, K.,Teruya, K.,Akiyama, T.,Sanjho, A.,Yamashita, E.,Nakagawa, A. (deposition date: 2014-06-18, release date: 2015-07-01, Last modification date: 2023-11-15)

• Primary citation: Hattori, Y.,Kobayashi, K.,Deguchi, A.,Nohara, Y.,Akiyama, T.,Teruya, K.,Sanjoh, A.,Nakagawa, A.,Yamashita, E.,Akaji, K.; Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors; Bioorg.Med.Chem., 23:5626-5640, 2015; PubMed: 26264846; DOI: 10.1016/j.bmc.2015.07.023

Experimental method

X-RAY DIFFRACTION (3.25 Å)