4DV9
Crystal structure of BACE1 with its inhibitor
Summary for 4DV9
Entry DOI | 10.2210/pdb4dv9/pdb |
Related | 3UQP 3UQR 3UQU 3UQW 3UQX 4DVF |
Related PRD ID | PRD_000898 |
Descriptor | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-AMINO-3-OXOPROPYL)-2,13-DIBENZYL-12,22-DIHYDROXY-3,5,17-TRIMETHYL-8-(2-METHYLPROPYL)-4,7,10,15,18,21-HEXAOXO-19-(PROPAN-2-YL)-3,6,9,14,17,20-HEXAAZATRICOSAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE (NON-PREFERRED NAME), SULFATE ION, ... (4 entities in total) |
Functional Keywords | hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (human) More |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 2 |
Total formula weight | 49586.34 |
Authors | Xu, Y.C.,Chen, W.Y.,Li, L.,Chen, T.T. (deposition date: 2012-02-23, release date: 2013-01-16, Last modification date: 2021-09-15) |
Primary citation | Liu, Y.,Zhang, W.,Li, L.,Salvador, L.A.,Chen, T.T.,Chen, W.Y.,Felsenstein, K.M.,Ladd, T.B.,Price, A.R.,Golde, T.E.,He, J.,Xu, Y.C.,Li, Y.,Luesch, H. Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55:10749-10765, 2012 Cited by PubMed: 23181502DOI: 10.1021/jm301630s PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.076 Å) |
Structure validation
Download full validation report