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1xuo

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[[Image:1xuo.jpg|left|200px]]<br /><applet load="1xuo" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1xuo, resolution 1.80&Aring;" />
 
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'''X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution'''<br />
 
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==Overview==
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==X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution==
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1,4-Diazepane-2,5-diones (2) are found to be a new class of potent LFA-1 inhibitors. The synthesis, structure, and biological evaluation of these 1,4-diazepine-2,5-diones and related derivatives are described.
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<StructureSection load='1xuo' size='340' side='right'caption='[[1xuo]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1xuo]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XUO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1XUO FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=LA1:(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE'>LA1</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></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=1xuo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xuo OCA], [https://pdbe.org/1xuo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1xuo RCSB], [https://www.ebi.ac.uk/pdbsum/1xuo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1xuo ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/ITAL_HUMAN ITAL_HUMAN] Integrin alpha-L/beta-2 is a receptor for ICAM1, ICAM2, ICAM3 and ICAM4. It is involved in a variety of immune phenomena including leukocyte-endothelial cell interaction, cytotoxic T-cell mediated killing, and antibody dependent killing by granulocytes and monocytes.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/xu/1xuo_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=1xuo ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1XUO is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=MG:'>MG</scene> and <scene name='pdbligand=LA1:'>LA1</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XUO OCA].
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*[[Integrin 3D structures|Integrin 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1., Wattanasin S, Kallen J, Myers S, Guo Q, Sabio M, Ehrhardt C, Albert R, Hommel U, Weckbecker G, Welzenbach K, Weitz-Schmidt G, Bioorg Med Chem Lett. 2005 Feb 15;15(4):1217-20. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15686945 15686945]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Albert, R.]]
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[[Category: Albert R]]
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[[Category: Ehrhardt, C.]]
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[[Category: Ehrhardt C]]
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[[Category: Guo, Q.]]
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[[Category: Guo Q]]
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[[Category: Hommel, U.]]
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[[Category: Hommel U]]
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[[Category: Kallen, J.]]
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[[Category: Kallen J]]
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[[Category: Myers, S.]]
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[[Category: Myers S]]
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[[Category: Sabio, M.]]
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[[Category: Sabio M]]
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[[Category: Wattanasin, S.]]
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[[Category: Wattanasin S]]
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[[Category: Weckbecker, G.]]
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[[Category: Weckbecker G]]
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[[Category: Welzenbach, K.]]
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[[Category: Welzenbach K]]
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[[Category: LA1]]
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[[Category: MG]]
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[[Category: i-domain]]
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[[Category: integrin]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:58:59 2008''
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Current revision

X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution

PDB ID 1xuo

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