3pi5: Difference between revisions

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-[[Image:3pi5.png|left|200px]]
-{{STRUCTURE_3pi5|  PDB=3pi5  |  SCENE=  }}
+==Crystal Structure of Human Beta Secretase in Complex with BFG356==
+<StructureSection load='3pi5' size='340' side='right'caption='[[3pi5]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3pi5]] 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=3PI5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3PI5 FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.4&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3P5:(3S,4S,5R)-3-(3-BROMO-4-HYDROXYBENZYL)-5-[(3-CYCLOPROPYLBENZYL)AMINO]TETRAHYDRO-2H-THIOPYRAN-4-OL+1,1-DIOXIDE'>3P5</scene></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3pi5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3pi5 OCA], [https://pdbe.org/3pi5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3pi5 RCSB], [https://www.ebi.ac.uk/pdbsum/3pi5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3pi5 ProSAT]</span></td></tr>
+</table>
+== 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 ==
+This Letter describes the de novo design of non-peptidic hydroxyethylamine (HEA) inhibitors of BACE-1 by elimination of P-gp contributing amide attachments. The predicted binding mode of the novel cyclic sulfone HEA core template was confirmed in a X-ray co-crystal structure. Inhibitors of sub-micromolar potency with an improved property profile over historic HEA inhibitors resulting in improved brain penetration are described.
-===Crystal Structure of Human Beta Secretase in Complex with BFG356===
+Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.,Rueeger H, Rondeau JM, McCarthy C, Mobitz H, Tintelnot-Blomley M, Neumann U, Desrayaud S Bioorg Med Chem Lett. 2011 Apr 1;21(7):1942-7. Epub 2011 Feb 15. PMID:21388807<ref>PMID:21388807</ref>
-{{ABSTRACT_PUBMED_21388807}}
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-==About this Structure==
+<div class="pdbe-citations 3pi5" style="background-color:#fffaf0;"></div>
-[[3pi5]] is a 3 chain structure of [[Beta secretase]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3PI5 OCA].
 ==See Also==
-*[[Beta secretase|Beta secretase]]
+*[[Beta secretase 3D structures|Beta secretase 3D structures]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:021388807</ref><ref group="xtra">PMID:019195886</ref><ref group="xtra">PMID:019195887</ref><references group="xtra"/>
+__TOC__
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Memapsin 2]]
+[[Category: Large Structures]]
-[[Category: Rondeau, J M.]]
+[[Category: Rondeau JM]]
-[[Category: Aspartic proteinase]]
-[[Category: Enzyme inhibitor complex]]
-[[Category: Hydrolase-hydrolase inhibitor complex]]