2Q11

Structure of BACE complexed to compound 1

Summary for 2Q11

Entry DOI	10.2210/pdb2q11/pdb
Descriptor	Beta-secretase 1, 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE (3 entities in total)
Functional Keywords	bace inhibitor complex, hydrolase
Biological source	Homo sapiens (human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	3
Total formula weight	131191.17
Authors	Sharff, A.J. (deposition date: 2007-05-23, release date: 2007-08-14, Last modification date: 2021-10-20)
Primary citation	Baxter, E.W.,Conway, K.A.,Kennis, L.,Bischoff, F.,Mercken, M.H.,Winter, H.L.,Reynolds, C.H.,Tounge, B.A.,Luo, C.,Scott, M.K.,Huang, Y.,Braeken, M.,Pieters, S.M.,Berthelot, D.J.,Masure, S.,Bruinzeel, W.D.,Jordan, A.D.,Parker, M.H.,Boyd, R.E.,Qu, J.,Alexander, R.S.,Brenneman, D.E.,Reitz, A.B. 2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead. J.Med.Chem., 50:4261-4264, 2007 Cited by PubMed: 17685503 DOI: 10.1021/jm0705408 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation