4acx: Difference between revisions
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==Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 23== | ==Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 23== | ||
<StructureSection load='4acx' size='340' side='right' caption='[[4acx]], [[Resolution|resolution]] 2.00Å' scene=''> | <StructureSection load='4acx' size='340' side='right'caption='[[4acx]], [[Resolution|resolution]] 2.00Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4acx]] is a 1 chain structure with sequence from [ | <table><tr><td colspan='2'>[[4acx]] is a 1 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=4ACX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4ACX FirstGlance]. <br> | ||
</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=S8Z:(8R)-8-[4-(DIFLUOROMETHOXY)PHENYL]-3,3-DIFLUORO-8-[3-(3-METHOXYPROP-1-YN-1-YL)PHENYL]-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE'>S8Z</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]] 2Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=S8Z:(8R)-8-[4-(DIFLUOROMETHOXY)PHENYL]-3,3-DIFLUORO-8-[3-(3-METHOXYPROP-1-YN-1-YL)PHENYL]-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE'>S8Z</scene></td></tr> | |||
<tr | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4acx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4acx OCA], [https://pdbe.org/4acx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4acx RCSB], [https://www.ebi.ac.uk/pdbsum/4acx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4acx ProSAT]</span></td></tr> | ||
</table> | |||
<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;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
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Aminoimidazoles as BACE-1 inhibitors: The challenge to achieve in vivo brain efficacy.,Swahn BM, Holenz J, Kihlstrom J, Kolmodin K, Lindstrom J, Plobeck N, Rotticci D, Sehgelmeble F, Sundstrom M, Berg S, Falting J, Georgievska B, Gustavsson S, Neelissen J, Ek M, Olsson LL, Berg S Bioorg Med Chem Lett. 2012 Mar 1;22(5):1854-9. Epub 2012 Jan 28. PMID:22325942<ref>PMID:22325942</ref> | Aminoimidazoles as BACE-1 inhibitors: The challenge to achieve in vivo brain efficacy.,Swahn BM, Holenz J, Kihlstrom J, Kolmodin K, Lindstrom J, Plobeck N, Rotticci D, Sehgelmeble F, Sundstrom M, Berg S, Falting J, Georgievska B, Gustavsson S, Neelissen J, Ek M, Olsson LL, Berg S Bioorg Med Chem Lett. 2012 Mar 1;22(5):1854-9. Epub 2012 Jan 28. PMID:22325942<ref>PMID:22325942</ref> | ||
From | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
<div class="pdbe-citations 4acx" style="background-color:#fffaf0;"></div> | |||
==See Also== | ==See Also== | ||
*[[Beta secretase|Beta secretase]] | *[[Beta secretase 3D structures|Beta secretase 3D structures]] | ||
== References == | == References == | ||
<references/> | <references/> | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: | [[Category: Large Structures]] | ||
[[Category: Berg | [[Category: Berg S]] | ||
[[Category: Ek | [[Category: Ek M]] | ||
[[Category: Falting | [[Category: Falting J]] | ||
[[Category: Georgievska | [[Category: Georgievska B]] | ||
[[Category: Gustavsson | [[Category: Gustavsson S]] | ||
[[Category: Holenz | [[Category: Holenz J]] | ||
[[Category: Kihlstrom | [[Category: Kihlstrom J]] | ||
[[Category: Kolmodin | [[Category: Kolmodin K]] | ||
[[Category: Lindstrom | [[Category: Lindstrom J]] | ||
[[Category: Neelissen | [[Category: Neelissen J]] | ||
[[Category: Olsson | [[Category: Olsson LL]] | ||
[[Category: Plobeck | [[Category: Plobeck N]] | ||
[[Category: Rotticci | [[Category: Rotticci D]] | ||
[[Category: Sehgelmeble | [[Category: Sehgelmeble F]] | ||
[[Category: Sundstrom | [[Category: Sundstrom M]] | ||
[[Category: Swahn | [[Category: Swahn B]] | ||
[[Category: | [[Category: Von Berg S]] | ||