2kp8

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[[Image:2kp8.png|left|200px]]
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==Ligand bound to a model peptide that mimics the open fusogenic form==
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<StructureSection load='2kp8' size='340' side='right' caption='[[2kp8]], [[NMR_Ensembles_of_Models | 5 NMR models]]' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2kp8]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KP8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2KP8 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=XIG:5-{[(4-METHOXYBIPHENYL-4-YL)METHYL][(1S)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL]CARBAMOYL}BENZENE-1,2,4-TRICARBOXYLIC+ACID'>XIG</scene></td></tr>
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<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=2kp8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2kp8 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2kp8 RCSB], [http://www.ebi.ac.uk/pdbsum/2kp8 PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The ectodomain of HIV-1 gp41 mediates the fusion of viral and host cellular membranes. The peptide-based drug Enfuvirtide(1) is precedent that antagonists of this fusion activity may act as anti HIV-agents. Here, NMR screening was used to discover non-peptide leads against this target and resulted in the discovery of a new benzamide 1 series. This series is non-peptide, low molecular weight, and analogs have activity in a cell fusion assay with EC50 values ranging 3-41microM. Structural work on the gp41/benzamide 1 complex was determined by NMR spectroscopy using a designed model peptide system that mimics an open pocket of the fusogenic form of the protein.
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{{STRUCTURE_2kp8| PDB=2kp8 | SCENE= }}
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Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket.,Stewart KD, Huth JR, Ng TI, McDaniel K, Hutchinson RN, Stoll VS, Mendoza RR, Matayoshi ED, Carrick R, Mo H, Severin J, Walter K, Richardson PL, Barrett LW, Meadows R, Anderson S, Kohlbrenner W, Maring C, Kempf DJ, Molla A, Olejniczak ET Bioorg Med Chem Lett. 2010 Jan 15;20(2):612-7. Epub 2009 Nov 20. PMID:20004576<ref>PMID:20004576</ref>
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===Ligand bound to a model peptide that mimics the open fusogenic form===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_20004576}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[2kp8]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KP8 OCA].
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</StructureSection>
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==Reference==
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<ref group="xtra">PMID:020004576</ref><references group="xtra"/>
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[[Category: Escherichia coli]]
[[Category: Escherichia coli]]
[[Category: Olejniczak, E T.]]
[[Category: Olejniczak, E T.]]
[[Category: Protein/ligand]]
[[Category: Protein/ligand]]
[[Category: Unknown function]]
[[Category: Unknown function]]

Revision as of 15:37, 12 October 2014

Ligand bound to a model peptide that mimics the open fusogenic form

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