4l7h
From Proteopedia
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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)== | ||
<StructureSection load='4l7h' size='340' side='right' caption='[[4l7h]], [[Resolution|resolution]] 1.85Å' scene=''> | <StructureSection load='4l7h' size='340' side='right' caption='[[4l7h]], [[Resolution|resolution]] 1.85Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[4l7h]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/ | + | <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> |
</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> | </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> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4l7g|4l7g]], [[4l7j|4l7j]], [[4lc7|4lc7]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4l7g|4l7g]], [[4l7j|4l7j]], [[4lc7|4lc7]]</td></tr> | ||
| - | <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 | + | <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> |
<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='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'>[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://www.rcsb.org/pdb/explore.do?structureId=4l7h RCSB], [http://www.ebi.ac.uk/pdbsum/4l7h PDBsum]</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=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> |
</table> | </table> | ||
== Function == | == Function == | ||
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__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| - | [[Category: | + | [[Category: Human]] |
[[Category: Memapsin 2]] | [[Category: Memapsin 2]] | ||
[[Category: Do, M K.Geck]] | [[Category: Do, M K.Geck]] | ||
Revision as of 19:46, 4 August 2016
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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Categories: Human | Memapsin 2 | Do, M K.Geck | Dutcher, D | Huestis, M P | Hunt, K W | Liu, W | Purkey, H E | Siu, M | Smith, D | Vigers, G | Volgraf, M | Wang, W | Wu, P | Yu, C | Aspartic protease | Hydrolase-hydrolase inhibitor complex
