4ktf: Difference between revisions

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-{{STRUCTURE_4ktf|  PDB=4ktf  |  SCENE=  }}
-===Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(3-amino-1H-pyrazole-4,5-diyl)diphenol===
-{{ABSTRACT_PUBMED_23788280}}
-==About this Structure==
+==Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(3-amino-1H-pyrazole-4,5-diyl)diphenol==
-[[4ktf]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_h37rv Mycobacterium tuberculosis h37rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KTF OCA].
+<StructureSection load='4ktf' size='340' side='right'caption='[[4ktf]], [[Resolution|resolution]] 1.35&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4ktf]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KTF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KTF 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]] 1.35&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1TM:4,4-(3-AMINO-1H-PYRAZOLE-4,5-DIYL)DIPHENOL'>1TM</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=4ktf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ktf OCA], [https://pdbe.org/4ktf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ktf RCSB], [https://www.ebi.ac.uk/pdbsum/4ktf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ktf ProSAT]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Freedom to merge: A combination of crystal structure examination and in silico predictions made it possible to overcome the conformational limitations of fragment merging and escape the internal strain in a series of weakly binding merged fragments that target M. tuberculosis CYP121. The insights attained provide a new perspective and guide for prioritizing synthetic efforts toward fragment merging in future and ongoing fragment-based ligand discovery campaigns.
-==Reference==
+Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121.,Hudson SA, Surade S, Coyne AG, McLean KJ, Leys D, Munro AW, Abell C ChemMedChem. 2013 Jun 20. doi: 10.1002/cmdc.201300219. PMID:23788280<ref>PMID:23788280</ref>
-<ref group="xtra">PMID:023788280</ref><references group="xtra"/><references/>
-[[Category: Mycobacterium tuberculosis h37rv]]
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Hudson, S A.]]
+</div>
-[[Category: Assumed cytosol]]
+<div class="pdbe-citations 4ktf" style="background-color:#fffaf0;"></div>
-[[Category: C-c bond formation]]
-[[Category: Cyy]]
+==See Also==
-[[Category: Oxidoreductase]]
+*[[Cytochrome P450 3D structures|Cytochrome P450 3D structures]]
-[[Category: P450]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Mycobacterium tuberculosis H37Rv]]
+[[Category: Hudson SA]]