7N66

BACE-1 in complex with ligand 12

Summary for 7N66

Entry DOI	10.2210/pdb7n66/pdb
Descriptor	Beta-secretase 1, IODIDE ION, GLYCEROL, ... (6 entities in total)
Functional Keywords	bace protease, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	47884.55
Authors	Shaffer, P.L. (deposition date: 2021-06-07, release date: 2021-10-06, Last modification date: 2023-10-18)
Primary citation	Rombouts, F.J.R.,Kusakabe, K.I.,Alexander, R.,Austin, N.,Borghys, H.,De Cleyn, M.,Dhuyvetter, D.,Gijsen, H.J.M.,Hrupka, B.,Jacobs, T.,Jerhaoui, S.,Lammens, L.,Leclercq, L.,Tsubone, K.,Ueno, T.,Morimoto, K.,Einaru, S.,Sumiyoshi, H.,Van den Bergh, A.,Vos, A.,Surkyn, M.,Teisman, A.,Moechars, D. JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate. J.Med.Chem., 64:14175-14191, 2021 Cited by PubMed: 34553934 DOI: 10.1021/acs.jmedchem.1c00935 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation