3CKP

Crystal structure of BACE-1 in complex with inhibitor

Summary for 3CKP

• Entry DOI: 10.2210/pdb3ckp/pdb
• Related: 3CKR
• Descriptor: Beta-secretase 1, CHLORIDE ION, (4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide, ... (4 entities in total)
• Functional Keywords: beta-secretase, aspartyl protease, alternative splicing, glycoprotein, hydrolase, membrane, transmembrane, zymogen
• Biological source: Homo sapiens (Human)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 3
• Total formula weight: 139726.73

Authors

Min, K. (deposition date: 2008-03-16, release date: 2008-06-03, Last modification date: 2021-11-10)

• Primary citation: Park, H.,Min, K.,Kwak, H.-S.,Koo, K.D.,Lim, D.,Seo, S.-W.,Choi, J.-U.,Platt, B.,Choi, D.-Y.; Synthesis, SAR, and X-ray structure of human BACE-1 inhibitors with cyclic urea derivatives; Bioorg.Med.Chem.Lett., 18:2900-2904, 2008; PubMed: 18434152; DOI: 10.1016/j.bmcl.2008.03.081

Experimental method

X-RAY DIFFRACTION (2.3 Å)