2fdd
From Proteopedia
(New page: 200px<br /> <applet load="2fdd" size="450" color="white" frame="true" align="right" spinBox="true" caption="2fdd, resolution 1.58Å" /> '''Crystal structure o...) |
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| - | [[Image:2fdd.gif|left|200px]]<br /> | + | [[Image:2fdd.gif|left|200px]]<br /><applet load="2fdd" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="2fdd" size=" | + | |
caption="2fdd, resolution 1.58Å" /> | caption="2fdd, resolution 1.58Å" /> | ||
'''Crystal structure of HIV protease D545701 bound with GW0385'''<br /> | '''Crystal structure of HIV protease D545701 bound with GW0385'''<br /> | ||
==Overview== | ==Overview== | ||
| - | A novel series of P1 modified HIV protease inhibitors was synthesized and | + | A novel series of P1 modified HIV protease inhibitors was synthesized and evaluated for in vitro antiviral activity against wild-type virus and protease inhibitor-resistant viruses. Optimization of the P1 moiety resulted in compounds with femtomolar enzyme activities and cellular antiviral activities in the low nanomolar range culminating in the identification of clinical candidate GW0385. |
==About this Structure== | ==About this Structure== | ||
| - | 2FDD is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1] with 385 as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http:// | + | 2FDD is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1] with <scene name='pdbligand=385:'>385</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FDD OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| - | [[Category: Xu, R | + | [[Category: Xu, R X.]] |
[[Category: 385]] | [[Category: 385]] | ||
[[Category: hiv protease]] | [[Category: hiv protease]] | ||
[[Category: inhibitor]] | [[Category: inhibitor]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:20:13 2008'' |
Revision as of 15:20, 21 February 2008
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Crystal structure of HIV protease D545701 bound with GW0385
Overview
A novel series of P1 modified HIV protease inhibitors was synthesized and evaluated for in vitro antiviral activity against wild-type virus and protease inhibitor-resistant viruses. Optimization of the P1 moiety resulted in compounds with femtomolar enzyme activities and cellular antiviral activities in the low nanomolar range culminating in the identification of clinical candidate GW0385.
About this Structure
2FDD is a Single protein structure of sequence from Human immunodeficiency virus 1 with as ligand. Active as HIV-1 retropepsin, with EC number 3.4.23.16 Full crystallographic information is available from OCA.
Reference
Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: the discovery of GW0385., Miller JF, Andrews CW, Brieger M, Furfine ES, Hale MR, Hanlon MH, Hazen RJ, Kaldor I, McLean EW, Reynolds D, Sammond DM, Spaltenstein A, Tung R, Turner EM, Xu RX, Sherrill RG, Bioorg Med Chem Lett. 2006 Apr 1;16(7):1788-94. Epub 2006 Feb 3. PMID:16458505
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