3m9f: Difference between revisions
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==HIV protease complexed with compound 10b== | ==HIV protease complexed with compound 10b== | ||
<StructureSection load='3m9f' size='340' side='right' caption='[[3m9f]], [[Resolution|resolution]] 1.80Å' scene=''> | <StructureSection load='3m9f' size='340' side='right'caption='[[3m9f]], [[Resolution|resolution]] 1.80Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[3m9f]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/9hiv1 9hiv1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3M9F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3M9F FirstGlance]. <br> | <table><tr><td colspan='2'>[[3m9f]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/9hiv1 9hiv1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3M9F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3M9F FirstGlance]. <br> | ||
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Check<jmol> | Check<jmol> | ||
<jmolCheckbox> | <jmolCheckbox> | ||
<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/m9/3m9f_consurf.spt"</scriptWhenChecked> | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/m9/3m9f_consurf.spt"</scriptWhenChecked> | ||
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
<text>to colour the structure by Evolutionary Conservation</text> | <text>to colour the structure by Evolutionary Conservation</text> | ||
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__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | |||
[[Category: Su, H P]] | [[Category: Su, H P]] | ||
[[Category: Hiv]] | [[Category: Hiv]] | ||
[[Category: Protease]] | [[Category: Protease]] | ||
[[Category: Transferase]] | [[Category: Transferase]] | ||
Revision as of 21:13, 14 August 2019
HIV protease complexed with compound 10bHIV protease complexed with compound 10b
Structural highlights
Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedA series of HIV-1 protease inhibitors containing an epsilon substituted lysinol backbone was synthesized. Two novel synthetic routes using N-boc-L-glutamic acid alpha-benzyl ester and 2,6-diaminopimelic acid were developed. Incorporation of this epsilon substituent enabled access to the S2 pocket of the enzyme, affording high potency inhibitors. Modeling studies and synthetic efforts suggest the potency increase is due to both conformational bias and van der Waals interactions with the S2 pocket. Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors.,Jones KL, Holloway MK, Su HP, Carroll SS, Burlein C, Touch S, DiStefano DJ, Sanchez RI, Williams TM, Vacca JP, Coburn CA Bioorg Med Chem Lett. 2010 Jul 15;20(14):4065-8. Epub 2010 May 25. PMID:20547452[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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