3msl: Difference between revisions
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==Fragment Based Discovery and Optimisation of BACE-1 Inhibitors== | ==Fragment Based Discovery and Optimisation of BACE-1 Inhibitors== | ||
<StructureSection load='3msl' size='340' side='right' caption='[[3msl]], [[Resolution|resolution]] 2.40Å' scene=''> | <StructureSection load='3msl' size='340' side='right' caption='[[3msl]], [[Resolution|resolution]] 2.40Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[3msl]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/ | <table><tr><td colspan='2'>[[3msl]] 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=3MSL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3MSL FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EV5:(3S)-3-(2-AMINO-5-CHLORO-1H-BENZIMIDAZOL-1-YL)-N-(CYCLOHEXYLMETHYL)PENTANAMIDE'>EV5</scene>, <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EV5:(3S)-3-(2-AMINO-5-CHLORO-1H-BENZIMIDAZOL-1-YL)-N-(CYCLOHEXYLMETHYL)PENTANAMIDE'>EV5</scene>, <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3msj|3msj]], [[3msk|3msk]], [[3msm|3msm]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3msj|3msj]], [[3msk|3msk]], [[3msm|3msm]]</td></tr> | ||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">BACE, BACE1, 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">BACE, BACE1, 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=3msl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3msl OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3msl RCSB], [http://www.ebi.ac.uk/pdbsum/3msl 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=3msl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3msl OCA], [http://pdbe.org/3msl PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3msl RCSB], [http://www.ebi.ac.uk/pdbsum/3msl PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3msl ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | == Function == | ||
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<text>to colour the structure by Evolutionary Conservation</text> | <text>to colour the structure by Evolutionary Conservation</text> | ||
</jmolCheckbox> | </jmolCheckbox> | ||
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/ | </jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3msl ConSurf]. | ||
<div style="clear:both"></div> | <div style="clear:both"></div> | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
<div class="pdbe-citations 3msl" style="background-color:#fffaf0;"></div> | |||
==See Also== | ==See Also== | ||
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__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: | [[Category: Human]] | ||
[[Category: Memapsin 2]] | [[Category: Memapsin 2]] | ||
[[Category: Barker, J]] | [[Category: Barker, J]] | ||
Revision as of 21:43, 4 August 2016
Fragment Based Discovery and Optimisation of BACE-1 Inhibitors
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Proteopedia Page Contributors and Editors (what is this?)
Categories:
- Human
- Memapsin 2
- Barker, J
- Madden, J
- Smith, M
- Alzheimer's disease
- Amyloid precursor protein secretase
- Aspartic endopeptidase
- Aspartic protease
- Aspartyl protease
- Base
- Beta-secretase
- Fluorescence polarisation
- Fragment-based drug design
- Glycoprotein
- Hydrolase
- Hydrolase-hydrolase inhibitor complex
- Protease
- Transmembrane
- Zymogen
