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5dqc
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==Co-crystal of BACE1 with compound 0211== | ==Co-crystal of BACE1 with compound 0211== | ||
| - | <StructureSection load='5dqc' size='340' side='right' caption='[[5dqc]], [[Resolution|resolution]] 2.47Å' scene=''> | + | <StructureSection load='5dqc' size='340' side='right'caption='[[5dqc]], [[Resolution|resolution]] 2.47Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[5dqc]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DQC OCA]. For a <b>guided tour on the structure components</b> use [ | + | <table><tr><td colspan='2'>[[5dqc]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DQC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5DQC FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5E7:N-[(2S,3R)-3-HYDROXY-4-({(2S,3S)-3-HYDROXY-1-[(2-METHYLPROPYL)AMINO]-1-OXOBUTAN-2-YL}AMINO)-1-PHENYLBUTAN-2-YL]-5-[METHYL(METHYLSULFONYL)AMINO]-N-[(1R)-1-PHENYLETHYL]BENZENE-1,3-DICARBOXAMIDE'>5E7</scene | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.4651Å</td></tr> |
| - | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5E7:N-[(2S,3R)-3-HYDROXY-4-({(2S,3S)-3-HYDROXY-1-[(2-METHYLPROPYL)AMINO]-1-OXOBUTAN-2-YL}AMINO)-1-PHENYLBUTAN-2-YL]-5-[METHYL(METHYLSULFONYL)AMINO]-N-[(1R)-1-PHENYLETHYL]BENZENE-1,3-DICARBOXAMIDE'>5E7</scene></td></tr> | |
| - | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5dqc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5dqc OCA], [https://pdbe.org/5dqc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5dqc RCSB], [https://www.ebi.ac.uk/pdbsum/5dqc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5dqc ProSAT]</span></td></tr> |
</table> | </table> | ||
== Function == | == Function == | ||
| - | [ | + | [https://www.uniprot.org/uniprot/BACE1_HUMAN BACE1_HUMAN] Responsible for the proteolytic processing of the amyloid precursor protein (APP). Cleaves at the N-terminus of the A-beta peptide sequence, between residues 671 and 672 of APP, leads to the generation and extracellular release of beta-cleaved soluble APP, and a corresponding cell-associated C-terminal fragment which is later released by gamma-secretase.<ref>PMID:10677483</ref> <ref>PMID:20354142</ref> |
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Design, synthesis and evaluation of very potent and selective beta-Secretase 2 (memapsin 1, BACE 2) inhibitors are described. The inhibitors were designed specifically to interact with the S2'-site of beta-secretase 2 to provide >170,000-fold selectivity over beta-secretase (BACE 1) and >15,000-fold selectivity over cathepsin D. BACE 2 is implicated in Type 2 diabetes. The studies serve as an important guide to selective BACE 2 inhibitors. | ||
| + | |||
| + | Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.,Ghosh AK, Reddy BS, Yen YC, Cardenas E, Rao KV, Downs D, Huang X, Tang J, Mesecar AD Chem Sci. 2016 May 1;7:3117-3122. Epub 2016 Feb 4. PMID:27347366<ref>PMID:27347366</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 5dqc" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Beta secretase 3D structures|Beta secretase 3D structures]] | ||
== References == | == References == | ||
<references/> | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| - | [[Category: | + | [[Category: Homo sapiens]] |
| - | [[Category: Bhavanam | + | [[Category: Large Structures]] |
| - | [[Category: Cardenas | + | [[Category: Bhavanam SR]] |
| - | [[Category: Downs | + | [[Category: Cardenas EL]] |
| - | [[Category: Ghosh | + | [[Category: Downs D]] |
| - | [[Category: Huang | + | [[Category: Ghosh AK]] |
| - | [[Category: Mescar | + | [[Category: Huang X]] |
| - | [[Category: Rao | + | [[Category: Mescar AD]] |
| - | [[Category: Tang | + | [[Category: Rao KV]] |
| - | [[Category: Yen | + | [[Category: Tang J]] |
| - | + | [[Category: Yen T-C]] | |
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| - | + | ||
| - | + | ||
Current revision
Co-crystal of BACE1 with compound 0211
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Categories: Homo sapiens | Large Structures | Bhavanam SR | Cardenas EL | Downs D | Ghosh AK | Huang X | Mescar AD | Rao KV | Tang J | Yen T-C
