2uy0
From Proteopedia
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| - | [[ | + | ==TWO-CARBON-ELONGATED HIV-1 PROTEASE INHIBITORS WITH A TERTIARY-ALCOHOL-CONTAINING TRANSITION-STATE MIMIC== |
| + | <StructureSection load='2uy0' size='340' side='right' caption='[[2uy0]], [[Resolution|resolution]] 1.76Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[2uy0]] 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=2UY0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2UY0 FirstGlance]. <br> | ||
| + | </td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HV1:METHYL+[(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTANOYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE'>HV1</scene><br> | ||
| + | <tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1a9m|1a9m]], [[1ajv|1ajv]], [[1ajx|1ajx]], [[1axa|1axa]], [[1bqm|1bqm]], [[1bqn|1bqn]], [[1d4h|1d4h]], [[1d4i|1d4i]], [[1d4j|1d4j]], [[1dlo|1dlo]], [[1dw6|1dw6]], [[1ebk|1ebk]], [[1ebw|1ebw]], [[1eby|1eby]], [[1ebz|1ebz]], [[1ec0|1ec0]], [[1ec1|1ec1]], [[1ec2|1ec2]], [[1ec3|1ec3]], [[1eet|1eet]], [[1g35|1g35]], [[1gnm|1gnm]], [[1gnn|1gnn]], [[1gno|1gno]], [[1hbv|1hbv]], [[1hef|1hef]], [[1heg|1heg]], [[1hih|1hih]], [[1hmv|1hmv]], [[1hni|1hni]], [[1hnv|1hnv]], [[1hos|1hos]], [[1hps|1hps]], [[1hpz|1hpz]], [[1hqe|1hqe]], [[1hqu|1hqu]], [[1hrh|1hrh]], [[1hte|1hte]], [[1htf|1htf]], [[1htg|1htg]], [[1hvi|1hvi]], [[1hvk|1hvk]], [[1hvp|1hvp]], [[1hvu|1hvu]], [[1hys|1hys]], [[1ikv|1ikv]], [[1ikw|1ikw]], [[1ikx|1ikx]], [[1iky|1iky]], [[1j5o|1j5o]], [[1kjh|1kjh]], [[1mer|1mer]], [[1mes|1mes]], [[1met|1met]], [[1meu|1meu]], [[1n5y|1n5y]], [[1n6q|1n6q]], [[1npa|1npa]], [[1npv|1npv]], [[1npw|1npw]], [[1qe1|1qe1]], [[1qmc|1qmc]], [[1r0a|1r0a]], [[1rdh|1rdh]], [[1rtd|1rtd]], [[1rvl|1rvl]], [[1rvm|1rvm]], [[1rvn|1rvn]], [[1rvo|1rvo]], [[1rvp|1rvp]], [[1rvq|1rvq]], [[1rvr|1rvr]], [[1s6p|1s6p]], [[1s6q|1s6q]], [[1s9e|1s9e]], [[1s9g|1s9g]], [[1sbg|1sbg]], [[1suq|1suq]], [[1sv5|1sv5]], [[1t03|1t03]], [[1t05|1t05]], [[1t7k|1t7k]], [[1tv6|1tv6]], [[1tvr|1tvr]], [[1uwb|1uwb]], [[1w5v|1w5v]], [[1w5w|1w5w]], [[1w5x|1w5x]], [[1w5y|1w5y]], [[1yt9|1yt9]], [[1zp8|1zp8]], [[1zpa|1zpa]], [[2b5j|2b5j]], [[2b6a|2b6a]], [[2ban|2ban]], [[2bb9|2bb9]], [[2bbb|2bbb]], [[2be2|2be2]], [[2hmi|2hmi]], [[3hvt|3hvt]], [[3tlh|3tlh]], [[2uxz|2uxz]]</td></tr> | ||
| + | <tr><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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2uy0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2uy0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2uy0 RCSB], [http://www.ebi.ac.uk/pdbsum/2uy0 PDBsum]</span></td></tr> | ||
| + | <table> | ||
| + | == Evolutionary Conservation == | ||
| + | [[Image:Consurf_key_small.gif|200px|right]] | ||
| + | Check<jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/uy/2uy0_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
| + | <text>to colour the structure by Evolutionary Conservation</text> | ||
| + | </jmolCheckbox> | ||
| + | </jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | A new generation of HIV-1 protease inhibitors encompassing a tertiary-alcohol-based transition-state mimic has been developed. By elongation of the core structure of recently reported inhibitors with two carbon atoms and by varying the P1' group of the compounds, efficient inhibitors were obtained with Ki down to 2.3 nM and EC50 down to 0.17 microM. Two inhibitor-enzyme X-ray structures are reported. | ||
| - | + | Two-carbon-elongated HIV-1 protease inhibitors with a tertiary-alcohol-containing transition-state mimic.,Wu X, Ohrngren P, Ekegren JK, Unge J, Unge T, Wallberg H, Samuelsson B, Hallberg A, Larhed M J Med Chem. 2008 Feb 28;51(4):1053-7. Epub 2008 Jan 24. PMID:18215014<ref>PMID:18215014</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]] | ||
Revision as of 06:33, 29 September 2014
TWO-CARBON-ELONGATED HIV-1 PROTEASE INHIBITORS WITH A TERTIARY-ALCOHOL-CONTAINING TRANSITION-STATE MIMIC
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