5f4r: Difference between revisions

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-'''Unreleased structure'''
-The entry 5f4r is ON HOLD
+==HIV-1 gp120 complex with BNW-IV-147==
+<StructureSection load='5f4r' size='340' side='right' caption='[[5f4r]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[5f4r]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5F4R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5F4R FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5VF:~{N}-[(1~{R},2~{R})-2-(CARBAMIMIDAMIDOMETHYL)-5-[[CARBAMIMIDOYL(METHYL)AMINO]METHYL]-2,3-DIHYDRO-1~{H}-INDEN-1-YL]-~{N}-(4-CHLORANYL-3-FLUORANYL-PHENYL)ETHANEDIAMIDE'>5VF</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5f4l|5f4l]], [[5f4p|5f4p]], [[5f4u|5f4u]]</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=5f4r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5f4r OCA], [http://pdbe.org/5f4r PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5f4r RCSB], [http://www.ebi.ac.uk/pdbsum/5f4r PDBsum]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+The optimization, based on computational, thermodynamic, and crystallographic data, of a series of small-molecule ligands of the Phe43 cavity of the envelope glycoprotein gp120 of human immunodeficiency virus (HIV) has been achieved. Importantly, biological evaluation revealed that the small-molecule CD4 mimics (4-7) inhibit HIV-1 entry into target cells with both significantly higher potency and neutralization breadth than previous congeners, while maintaining high selectivity for the target virus. Their binding mode was characterized via thermodynamic and crystallographic studies.
-Authors: Liang, S., Hendrickson, W.A.
+Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.,Melillo B, Liang S, Park J, Schon A, Courter JR, LaLonde JM, Wendler DJ, Princiotto AM, Seaman MS, Freire E, Sodroski J, Madani N, Hendrickson WA, Smith AB 3rd ACS Med Chem Lett. 2016 Jan 19;7(3):330-4. doi: 10.1021/acsmedchemlett.5b00471., eCollection 2016 Mar 10. PMID:26985324<ref>PMID:26985324</ref>
-Description: HIV-1 gp120 complex with BNM-IV-147
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
+<div class="pdbe-citations 5f4r" style="background-color:#fffaf0;"></div>
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Hendrickson, W A]]
 [[Category: Liang, S]]
-[[Category: Hendrickson, W.A]]
+[[Category: Gp120]]
+[[Category: Viral protein]]