4dfg
From Proteopedia
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| - | [[ | + | ==Crystal Structure of Wild-type HIV-1 Protease with Cyclopentyltetrahydro- furanyl Urethanes as P2-ligand, GRL-0249A== |
| + | <StructureSection load='4dfg' size='340' side='right' caption='[[4dfg]], [[Resolution|resolution]] 1.23Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4dfg]] is a 2 chain structure 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=4DFG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4DFG FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0JV:METHYL+N-[(3S,3AR,5R,6AR)-5-[[(2S,3R)-4-[(4-METHOXYPHENYL)SULFONYL-(2-METHYLPROPYL)AMINO]-3-OXIDANYL-1-PHENYL-BUTAN-2-YL]CARBAMOYLOXY]-3,3A,4,5,6,6A-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-3-YL]CARBAMATE'>0JV</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2ien|2ien]], [[2z4o|2z4o]], [[2hb3|2hb3]], [[3dk1|3dk1]], [[3djk|3djk]], [[3h5b|3h5b]], [[3i6o|3i6o]], [[3st5|3st5]], [[3ok9|3ok9]]</td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">gag-pol ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11676 Human immunodeficiency virus 1])</td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/HIV-1_retropepsin HIV-1 retropepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.16 3.4.23.16] </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=4dfg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dfg OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4dfg RCSB], [http://www.ebi.ac.uk/pdbsum/4dfg PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The design, synthesis, and biological evaluation of novel C3-substituted cyclopentyltetrahydrofuranyl (Cp-THF)-derived HIV-1 protease inhibitors are described. Various C3-functional groups on the Cp-THF ligand were investigated in order to maximize the ligand-binding site interactions in the flap region of the protease. Inhibitors 3c and 3d have displayed the most potent enzyme inhibitory and antiviral activity. Both inhibitors have maintained impressive activity against a panel of multidrug resistant HIV-1 variants. A high-resolution X-ray crystal structure of 3c-bound HIV-1 protease revealed a number of important molecular insights into the ligand-binding site interactions. | ||
| - | + | Substituent effects on P2-cyclopentyltetrahydrofuranyl urethanes: Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors.,Ghosh AK, Chapsal BD, Steffey M, Agniswamy J, Wang YF, Amano M, Weber IT, Mitsuya H Bioorg Med Chem Lett. 2012 Mar 15;22(6):2308-11. Epub 2012 Feb 2. PMID:22364812<ref>PMID:22364812</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
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==See Also== | ==See Also== | ||
*[[Virus protease|Virus protease]] | *[[Virus protease|Virus protease]] | ||
| - | + | == References == | |
| - | == | + | <references/> |
| - | < | + | __TOC__ |
| + | </StructureSection> | ||
[[Category: HIV-1 retropepsin]] | [[Category: HIV-1 retropepsin]] | ||
[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
| - | [[Category: Agniswamy, J | + | [[Category: Agniswamy, J]] |
| - | [[Category: Wang, Y F | + | [[Category: Wang, Y F]] |
| - | [[Category: Weber, I T | + | [[Category: Weber, I T]] |
[[Category: Aspartic acid protease]] | [[Category: Aspartic acid protease]] | ||
[[Category: Cyclopentyltetrahydro- furanyl urethanes p2-ligand]] | [[Category: Cyclopentyltetrahydro- furanyl urethanes p2-ligand]] | ||
Revision as of 16:40, 9 December 2014
Crystal Structure of Wild-type HIV-1 Protease with Cyclopentyltetrahydro- furanyl Urethanes as P2-ligand, GRL-0249A
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