1c1c

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[[Image:1c1c.png|left|200px]]
 
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{{STRUCTURE_1c1c| PDB=1c1c | SCENE= }}
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==CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-6123==
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<StructureSection load='1c1c' size='340' side='right'caption='[[1c1c]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1c1c]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1C1C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1C1C 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]] 2.5&#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=612:6-(CYCLOHEXYLSULFANYL)-1-(ETHOXYMETHYL)-5-(1-METHYLETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE'>612</scene>, <scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</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=1c1c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1c1c OCA], [https://pdbe.org/1c1c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1c1c RCSB], [https://www.ebi.ac.uk/pdbsum/1c1c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1c1c ProSAT]</span></td></tr>
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</table>
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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/c1/1c1c_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=1c1c ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Two analogues of the nonnucleoside inhibitor of HIV-1 RT, MKC-442 (emivirine), containing different C6 substituents have been designed to be less susceptible to the commonly found drug-resistance mutation of Tyr181Cys. Compound TNK-6123 had a C6 thiocyclohexyl group designed to have more flexibility in adapting to the mutated drug-binding site. GCA-186 had additional 3',5'-dimethyl substituents aimed at forming close contacts with the conserved residue Trp229. Both compounds showed approximately 30-fold greater inhibitory effect than MKC-442 to the Tyr181Cys mutant virus as well as to the clinically important Lys103Asn virus. X-ray crystallographic structure determination of complexes with HIV-1 RT confirmed the predicted binding modes. These strategies might be used to improve the resilience of other NNRTI series against common drug-resistance mutations.
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===CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-6123===
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Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants.,Hopkins AL, Ren J, Tanaka H, Baba M, Okamato M, Stuart DI, Stammers DK J Med Chem. 1999 Nov 4;42(22):4500-5. PMID:10579814<ref>PMID:10579814</ref>
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{{ABSTRACT_PUBMED_10579814}}
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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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==About this Structure==
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<div class="pdbe-citations 1c1c" style="background-color:#fffaf0;"></div>
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[[1c1c]] is a 2 chain structure of [[Reverse transcriptase]] with sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1C1C OCA].
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==See Also==
==See Also==
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*[[Reverse transcriptase|Reverse transcriptase]]
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*[[Reverse transcriptase 3D structures|Reverse transcriptase 3D structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:010579814</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Human immunodeficiency virus 1]]
[[Category: Human immunodeficiency virus 1]]
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[[Category: RNA-directed DNA polymerase]]
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[[Category: Large Structures]]
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[[Category: Baba, M.]]
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[[Category: Baba M]]
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[[Category: Hopkins, A L.]]
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[[Category: Hopkins AL]]
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[[Category: Okamato, M.]]
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[[Category: Okamato M]]
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[[Category: Ren, J.]]
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[[Category: Ren J]]
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[[Category: Stammers, D K.]]
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[[Category: Stammers DK]]
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[[Category: Stuart, D I.]]
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[[Category: Stuart DI]]
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[[Category: Tanaka, H.]]
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[[Category: Tanaka H]]
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[[Category: Aid]]
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[[Category: Drug design]]
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[[Category: Hiv-1 reverse transcriptase]]
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[[Category: Non-nucleoside inhibitor]]
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[[Category: Transferase]]
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Current revision

CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-6123

PDB ID 1c1c

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