4FSL
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-DB-MUT) complex with N-(N-(4- acetamido-3-chloro-5-methylbenzyl)carbamimidoyl)-3-(4- methoxyphenyl)-5-methyl-4-isothiazolecarboxamide
Summary for 4FSL
Entry DOI | 10.2210/pdb4fsl/pdb |
Related | 4FSE |
Descriptor | Beta-secretase 1, N-{N-[4-(acetylamino)-3-chloro-5-methylbenzyl]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 | 187160.98 |
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 (2.5 Å) |
Structure validation
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