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
The structure was published by Gerritz, S.W., Zhai, W., Shi, S., et al., Poss, M.A., Macor, J.E., and Thompson, L.A., in 2012 in a paper entitled "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" (abstract).
This crystal structure was determined using X-ray diffraction at a resolution of 2.65 Å and deposited in 2012.
The experimental data on which the structure is based was also deposited.
This PDB entry contains multiple copies of the structure of Beta-secretase 1.
It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.
The molecule has more than one probable quaternary state observed. For more details see the quaternary structure page.
The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):
This entry contains 1 unique UniProt protein: