4b05: Difference between revisions

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==Preclinical characterization of AZD3839, a novel clinical candidate BACE1 inhibitor for the treatment of Alzheimer Disease==
==Preclinical characterization of AZD3839, a novel clinical candidate BACE1 inhibitor for the treatment of Alzheimer Disease==
<StructureSection load='4b05' size='340' side='right' caption='[[4b05]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
<StructureSection load='4b05' size='340' side='right'caption='[[4b05]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4b05]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4B05 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4B05 FirstGlance]. <br>
<table><tr><td colspan='2'>[[4b05]] 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=4B05 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4B05 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=32D:(1S)-1-[2-(DIFLUOROMETHYL)PYRIDIN-4-YL]-4-FLUORO-1-(3-PYRIMIDIN-5-YLPHENYL)-1H-ISOINDOL-3-AMINE'>32D</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1fkn|1fkn]], [[1m4h|1m4h]], [[1py1|1py1]], [[1sgz|1sgz]], [[1tqf|1tqf]], [[1ujj|1ujj]], [[1ujk|1ujk]], [[1w50|1w50]], [[1w51|1w51]], [[1xn2|1xn2]], [[1xn3|1xn3]], [[1xs7|1xs7]], [[1ym2|1ym2]], [[1ym4|1ym4]], [[2b8l|2b8l]], [[2b8v|2b8v]], [[2fdp|2fdp]], [[2va5|2va5]], [[2va6|2va6]], [[2va7|2va7]], [[2vie|2vie]], [[2vij|2vij]], [[2viy|2viy]], [[2viz|2viz]], [[2vj6|2vj6]], [[2vj7|2vj7]], [[2vj9|2vj9]], [[2vkm|2vkm]], [[2vnm|2vnm]], [[2vnn|2vnn]], [[2wez|2wez]], [[2wf0|2wf0]], [[2wf1|2wf1]], [[2wf2|2wf2]], [[2wf3|2wf3]], [[2wf4|2wf4]], [[2wjo|2wjo]], [[2xfi|2xfi]], [[2xfj|2xfj]], [[2xfk|2xfk]], [[4acu|4acu]], [[4acx|4acx]], [[4azy|4azy]], [[4b00|4b00]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=32D:(1S)-1-[2-(DIFLUOROMETHYL)PYRIDIN-4-YL]-4-FLUORO-1-(3-PYRIMIDIN-5-YLPHENYL)-1H-ISOINDOL-3-AMINE'>32D</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </span></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=4b05 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4b05 OCA], [https://pdbe.org/4b05 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4b05 RCSB], [https://www.ebi.ac.uk/pdbsum/4b05 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4b05 ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4b05 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4b05 OCA], [http://pdbe.org/4b05 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4b05 RCSB], [http://www.ebi.ac.uk/pdbsum/4b05 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4b05 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[http://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>
[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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</div>
</div>
<div class="pdbe-citations 4b05" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 4b05" style="background-color:#fffaf0;"></div>
==See Also==
*[[Beta secretase 3D structures|Beta secretase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Human]]
[[Category: Homo sapiens]]
[[Category: Memapsin 2]]
[[Category: Large Structures]]
[[Category: Berg, S von]]
[[Category: Bueters T]]
[[Category: Bueters, T]]
[[Category: Cebers G]]
[[Category: Cebers, G]]
[[Category: Eketjall S]]
[[Category: Eketjall, S]]
[[Category: Falting J]]
[[Category: Falting, J]]
[[Category: Gustavsson S]]
[[Category: Gustavsson, S]]
[[Category: Janson J]]
[[Category: Janson, J]]
[[Category: Jeppsson F]]
[[Category: Jeppsson, F]]
[[Category: Karlstrom S]]
[[Category: Karlstrom, S]]
[[Category: Kolmodin K]]
[[Category: Kolmodin, K]]
[[Category: Olsson LL]]
[[Category: Olsson, L L]]
[[Category: Ploeger B]]
[[Category: Ploeger, B]]
[[Category: Radesater AC]]
[[Category: Radesater, A C]]
[[Category: Swahn BM]]
[[Category: Swahn, B M]]
[[Category: Von Berg S]]
[[Category: Alzheimer's disease]]
[[Category: Aminoisoindole]]
[[Category: Hydrolase]]

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