5f4p: Difference between revisions
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The entry | ==HIV-1 gp120 complex with BNM-III-170== | ||
<StructureSection load='5f4p' size='340' side='right' caption='[[5f4p]], [[Resolution|resolution]] 2.60Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5f4p]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5F4P OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5F4P FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5VG:~{N}-[(1~{R},2~{R})-2-(CARBAMIMIDAMIDOMETHYL)-5-(METHYLAMINOMETHYL)-2,3-DIHYDRO-1~{H}-INDEN-1-YL]-~{N}-(4-CHLORANYL-3-FLUORANYL-PHENYL)ETHANEDIAMIDE'>5VG</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]], [[5f4r|5f4r]], [[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=5f4p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5f4p OCA], [http://pdbe.org/5f4p PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5f4p RCSB], [http://www.ebi.ac.uk/pdbsum/5f4p 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. | |||
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> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 5f4p" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Hendrickson, W A]] | |||
[[Category: Liang, S]] | [[Category: Liang, S]] | ||
[[Category: | [[Category: Viral protein]] | ||
Revision as of 23:33, 11 May 2016
HIV-1 gp120 complex with BNM-III-170HIV-1 gp120 complex with BNM-III-170
Structural highlights
Publication Abstract from PubMedThe 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. 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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