4xxr: Difference between revisions

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-'''Unreleased structure'''
+==Atomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with CTX-M-14 E166A Beta-Lactamase==
+<StructureSection load='4xxr' size='340' side='right' caption='[[4xxr]], [[Resolution|resolution]] 1.18&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4xxr]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XXR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XXR FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=JSC:[(1,2,3,4,5-ETA)-1-(4-{[CARBOXY(4-CARBOXY-5,5-DIMETHYL-1,3-THIAZOLIDIN-2-YL)METHYL]AMINO}-4-OXOBUTANOYL)CYCLOPENTADIENYL][(1,2,3,4,5-ETA)-CYCLOPENTADIENYL]RUTHENIUM'>JSC</scene>, <scene name='pdbligand=JSD:[(1,2,3,4,5-ETA)-1-(4-{[(4-CARBOXY-5,5-DIMETHYL-1,3-THIAZOLIDIN-2-YL)METHYL]AMINO}-4-OXOBUTANOYL)CYCLOPENTADIENYL][(1,2,3,4,5-ETA)-CYCLOPENTADIENYL]RUTHENIUM'>JSD</scene>, <scene name='pdbligand=JSE:[(1,2,3,4,5-ETA)-1-(4-{[CARBOXY(4-CARBOXY-5,5-DIMETHYL-1,3-THIAZOLIDIN-2-YL)METHYL]AMINO}-4-OXOBUTANOYL)CYCLOPENTADIENYL][(1,2,3,4,5-ETA)-CYCLOPENTADIENYL]RUTHENIUM'>JSE</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene></td></tr>
+<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span></td></tr>
+<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=4xxr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xxr OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4xxr RCSB], [http://www.ebi.ac.uk/pdbsum/4xxr PDBsum]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+We have determined a 1.18 A resolution X-ray crystal structure of a novel ruthenocenyle-6-aminopenicillinic acid in complex with CTX-M beta-lactamase, showing unprecedented details of interactions between ruthenocene and protein. As the first product complex with an intact catalytic serine, the structure also offers insights into beta-lactamase catalysis and inhibitor design.
-The entry 4xxr is ON HOLD
+Antibacterial properties and atomic resolution X-ray complex crystal structure of a ruthenocene conjugated beta-lactam antibiotic.,Lewandowski EM, Skiba J, Torelli NJ, Rajnisz A, Solecka J, Kowalski K, Chen Y Chem Commun (Camb). 2015 Mar 10. PMID:25753149<ref>PMID:25753149</ref>
-Authors: Lewandowski, E.M., Chen, Y.
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-Description: Atomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with CTX-M-14 E166A Beta-Lactamase
+== References ==
-[[Category: Unreleased Structures]]
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Beta-lactamase]]
 [[Category: Chen, Y]]
-[[Category: Lewandowski, E.M]]
+[[Category: Lewandowski, E M]]
+[[Category: Beta-lactamase organometallic ruthenocene ctx-m-14]]
+[[Category: Hydrolase-antibiotic complex]]