8fxq: Difference between revisions
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New page: '''Unreleased structure''' The entry 8fxq is ON HOLD Authors: Satyshur, K.A., Rich, D.H., Ripka, A.S. Description: The Crystal Sturucture of Rhizopuspepsin with a bound modified peptid... |
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The | ==The Crystal Sturucture of Rhizopuspepsin with a bound modified peptide inhibitor generated by de novo drug design.== | ||
<StructureSection load='8fxq' size='340' side='right'caption='[[8fxq]], [[Resolution|resolution]] 1.21Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[8fxq]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhizopus_microsporus_var._chinensis Rhizopus microsporus var. chinensis] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8FXQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8FXQ FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.21Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CHX:CYCLOHEXANE'>CHX</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></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=8fxq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8fxq OCA], [https://pdbe.org/8fxq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8fxq RCSB], [https://www.ebi.ac.uk/pdbsum/8fxq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8fxq ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
[reaction: see text] Novel tripeptide-derived peptidomimetics 1, 7ab, and 8ab, inspired by templates generated by the structure-generating program GrowMol, were synthesized, shown to inhibit Rhizopus chinensis pepsin, and found by X-ray crystallography to bind to the enzyme in the GrowMol-predicted mode. Repetitive evaluation of the computer-generated templates for synthetic feasibility and optimal enzyme interactions led to the designed compounds. | |||
Aspartic protease inhibitors designed from computer-generated templates bind as predicted.,Ripka AS, Satyshur KA, Bohacek RS, Rich DH Org Lett. 2001 Jul 26;3(15):2309-12. doi: 10.1021/ol016090+. PMID:11463303<ref>PMID:11463303</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: Rich | <div class="pdbe-citations 8fxq" style="background-color:#fffaf0;"></div> | ||
[[Category: Ripka | == References == | ||
[[Category: Satyshur | <references/> | ||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Rhizopus microsporus var. chinensis]] | |||
[[Category: Synthetic construct]] | |||
[[Category: Rich DH]] | |||
[[Category: Ripka AS]] | |||
[[Category: Satyshur KA]] | |||
Latest revision as of 09:51, 9 October 2024
The Crystal Sturucture of Rhizopuspepsin with a bound modified peptide inhibitor generated by de novo drug design.
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