3s2o
From Proteopedia
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| - | [[ | + | ==Fragment based discovery and optimisation of bace-1 inhibitors== |
| + | <StructureSection load='3s2o' size='340' side='right' caption='[[3s2o]], [[Resolution|resolution]] 2.60Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3s2o]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=3msm 3msm]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3S2O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3S2O FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EV6:(3S)-3-(2-AMINO-5-CHLORO-1H-BENZIMIDAZOL-1-YL)-N-[(1R,3S,5R,7R)-TRICYCLO[3.3.1.1~3,7~]DEC-2-YL]PENTANAMIDE'>EV6</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]], [[3msl|3msl]], [[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 Homo sapiens])</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=3s2o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3s2o OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3s2o RCSB], [http://www.ebi.ac.uk/pdbsum/3s2o PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | A novel series of 2-aminobenzimidazole inhibitors of BACE1 has been discovered using fragment-based drug discovery (FBDD) techniques. The rapid optimization of these inhibitors using structure-guided medicinal chemistry is discussed. | ||
| - | + | Fragment-based discovery and optimization of BACE1 inhibitors.,Madden J, Dod JR, Godemann R, Kraemer J, Smith M, Biniszkiewicz M, Hallett DJ, Barker J, Dyekjaer JD, Hesterkamp T Bioorg Med Chem Lett. 2010 Sep 1;20(17):5329-33. Epub 2010 Jun 27. PMID:20656487<ref>PMID:20656487</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
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==See Also== | ==See Also== | ||
*[[Beta secretase|Beta secretase]] | *[[Beta secretase|Beta secretase]] | ||
| - | + | == References == | |
| - | == | + | <references/> |
| - | < | + | __TOC__ |
| + | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Memapsin 2]] | [[Category: Memapsin 2]] | ||
| - | [[Category: Barker, J | + | [[Category: Barker, J]] |
| - | [[Category: Godemann, R | + | [[Category: Godemann, R]] |
| - | [[Category: Hallett, D | + | [[Category: Hallett, D]] |
| - | [[Category: Kraemer, J | + | [[Category: Kraemer, J]] |
| - | [[Category: Madden, J | + | [[Category: Madden, J]] |
| - | [[Category: Smith, M A | + | [[Category: Smith, M A]] |
[[Category: Alzheimer's disease]] | [[Category: Alzheimer's disease]] | ||
[[Category: Amyloid precursor protein secretase]] | [[Category: Amyloid precursor protein secretase]] | ||
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[[Category: Glycoprotein]] | [[Category: Glycoprotein]] | ||
[[Category: Hydrolase-hydrolase inhibitor complex]] | [[Category: Hydrolase-hydrolase inhibitor complex]] | ||
| - | [[Category: Memapsin 2]] | ||
[[Category: Protease]] | [[Category: Protease]] | ||
[[Category: Transmembrane]] | [[Category: Transmembrane]] | ||
Revision as of 13:37, 9 December 2014
Fragment based discovery and optimisation of bace-1 inhibitors
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Categories: Homo sapiens | Memapsin 2 | Barker, J | Godemann, R | Hallett, D | Kraemer, J | Madden, J | Smith, M A | 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 inhibitor complex | Protease | Transmembrane
