4l7h

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==Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)==
==Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)==
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<StructureSection load='4l7h' size='340' side='right' caption='[[4l7h]], [[Resolution|resolution]] 1.85&Aring;' scene=''>
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<StructureSection load='4l7h' size='340' side='right'caption='[[4l7h]], [[Resolution|resolution]] 1.85&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4l7h]] 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=4L7H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4L7H FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4l7h]] 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=4L7H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4L7H FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1W1:2-[(3AR,7AR)-2-AMINO-7A-(2,4-DIFLUOROPHENYL)-3A,6,7,7A-TETRAHYDRO[1,3]OXAZOLO[5,4-C]PYRIDIN-5(4H)-YL]PYRIDINE-3-CARBONITRILE'>1W1</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene></td></tr>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1W1:2-[(3AR,7AR)-2-AMINO-7A-(2,4-DIFLUOROPHENYL)-3A,6,7,7A-TETRAHYDRO[1,3]OXAZOLO[5,4-C]PYRIDIN-5(4H)-YL]PYRIDINE-3-CARBONITRILE'>1W1</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4l7g|4l7g]], [[4l7j|4l7j]], [[4lc7|4lc7]]</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4l7h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4l7h OCA], [https://pdbe.org/4l7h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4l7h RCSB], [https://www.ebi.ac.uk/pdbsum/4l7h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4l7h ProSAT]</span></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">BACE1, BACE, KIAA1149 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
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<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>
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<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=4l7h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4l7h OCA], [http://pdbe.org/4l7h PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4l7h RCSB], [http://www.ebi.ac.uk/pdbsum/4l7h PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4l7h ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[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>
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[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>
==See Also==
==See Also==
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*[[Beta secretase|Beta secretase]]
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*[[Beta secretase 3D structures|Beta secretase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
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[[Category: Memapsin 2]]
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[[Category: Large Structures]]
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[[Category: Do, M K.Geck]]
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[[Category: Dutcher D]]
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[[Category: Dutcher, D]]
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[[Category: Geck Do MK]]
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[[Category: Huestis, M P]]
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[[Category: Huestis MP]]
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[[Category: Hunt, K W]]
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[[Category: Hunt KW]]
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[[Category: Liu, W]]
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[[Category: Liu W]]
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[[Category: Purkey, H E]]
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[[Category: Purkey HE]]
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[[Category: Siu, M]]
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[[Category: Siu M]]
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[[Category: Smith, D]]
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[[Category: Smith D]]
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[[Category: Vigers, G]]
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[[Category: Vigers G]]
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[[Category: Volgraf, M]]
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[[Category: Volgraf M]]
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[[Category: Wang, W]]
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[[Category: Wang W]]
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[[Category: Wu, P]]
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[[Category: Wu P]]
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[[Category: Yu, C]]
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[[Category: Yu C]]
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[[Category: Aspartic protease]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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Revision as of 10:42, 14 December 2022

Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)

PDB ID 4l7h

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