4FSE
crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with N-(N-(4-amino-3,5- dichlorobenzyl)carbamimidoyl)-3-(4-methoxyphenyl)-5- methyl-4-isothiazolecarboxamide
Summary for 4FSE
Entry DOI | 10.2210/pdb4fse/pdb |
Related | 4FSL |
Descriptor | Beta-secretase 1, N-[N-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide, IODIDE ION, ... (4 entities in total) |
Functional Keywords | alzheimer's disease, beta-secretase, memapsin 2, base, aspartic protease, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 4 |
Total formula weight | 203881.58 |
Authors | Muckelbauer, J.K. (deposition date: 2012-06-27, release date: 2012-10-10, Last modification date: 2019-07-17) |
Primary citation | Gerritz, S.W.,Zhai, W.,Shi, S.,Zhu, S.,Toyn, J.H.,Meredith, J.E.,Iben, L.G.,Burton, C.R.,Albright, C.F.,Good, A.C.,Tebben, A.J.,Muckelbauer, J.K.,Camac, D.M.,Metzler, W.,Cook, L.S.,Padmanabha, R.,Lentz, K.A.,Sofia, M.J.,Poss, M.A.,Macor, J.E.,Thompson, L.A. Acyl guanidine inhibitors of beta-secretase (BACE-1): optimization of a micromolar hit to a nanomolar lead via iterative solid- and solution-phase library synthesis J.Med.Chem., 55:9208-9223, 2012 Cited by PubMed: 23030502DOI: 10.1021/jm300931y PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.65 Å) |
Structure validation
Download full validation report