5rd8
From Proteopedia
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==PanDDA analysis group deposition -- Endothiapepsin ground state model 30== | ==PanDDA analysis group deposition -- Endothiapepsin ground state model 30== | ||
| - | <StructureSection load='5rd8' size='340' side='right'caption='[[5rd8]] | + | <StructureSection load='5rd8' size='340' side='right'caption='[[5rd8]]' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'> | + | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5RD8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5RD8 FirstGlance]. <br> |
| - | </td></tr><tr id=' | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction</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=5rd8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5rd8 OCA], [https://pdbe.org/5rd8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5rd8 RCSB], [https://www.ebi.ac.uk/pdbsum/5rd8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5rd8 ProSAT]</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=5rd8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5rd8 OCA], [https://pdbe.org/5rd8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5rd8 RCSB], [https://www.ebi.ac.uk/pdbsum/5rd8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5rd8 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| - | <div style="background-color:#fffaf0;"> | ||
| - | == Publication Abstract from PubMed == | ||
| - | Crystallographic fragment screening (CFS) provides excellent starting points for projects concerned with drug discovery or biochemical tool compound development. One of the fundamental prerequisites for effective CFS is the availability of a versatile fragment library. Here, we report on the assembly of the 1,103-compound F2X-Universal Library and its 96-compound sub-selection, the F2X-Entry Screen. Both represent the available fragment chemistry and are highly diverse in terms of their 3D-pharmacophore variations. Validation of the F2X-Entry Screen in CFS campaigns using endothiapepsin and the Aar2/RNaseH complex yielded hit rates of 30% and 21%, respectively, and revealed versatile binding sites. Dry presentation of the libraries allows CFS campaigns to be carried out with or without the co-solvent DMSO present. Most of the hits in our validation campaigns could be reproduced also in the absence of DMSO. Consequently, CFS can be carried out more efficiently and for a wider range of conditions and targets. | ||
| - | + | ==See Also== | |
| - | + | *[[Pepsin|Pepsin]] | |
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__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| - | [[Category: Cryphonectria parasitica]] | ||
| - | [[Category: Endothiapepsin]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: | + | [[Category: Weiss, MS, Wollenhaupt, J, Metz, A, Barthel, T, Lima, GMA, Heine, A, Mueller, U, Klebe, G]] |
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Current revision
PanDDA analysis group deposition -- Endothiapepsin ground state model 30
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