2cem

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[[Image:2cem.gif|left|200px]]
[[Image:2cem.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2cem |SIZE=350|CAPTION= <scene name='initialview01'>2cem</scene>, resolution 1.8&Aring;
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The line below this paragraph, containing "STRUCTURE_2cem", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:2ah+Binding+Site+For+Chain+B'>AC1</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=2AH:{(1S)-1-[N&#39;-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N&#39;-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC+ACID+METHYL+ESTER'>2AH</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <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>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_2cem| PDB=2cem | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2cem FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cem OCA], [http://www.ebi.ac.uk/pdbsum/2cem PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2cem RCSB]</span>
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}}
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'''P1' EXTENDED HIV-1 PROTEASE INHIBITORS ENCOMPASSING A TERTIARY ALCOHOL IN THE TRANSITION-STATE MIMICKING SCAFFOLD'''
'''P1' EXTENDED HIV-1 PROTEASE INHIBITORS ENCOMPASSING A TERTIARY ALCOHOL IN THE TRANSITION-STATE MIMICKING SCAFFOLD'''
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[[Category: Unge, T.]]
[[Category: Unge, T.]]
[[Category: Wallberg, H.]]
[[Category: Wallberg, H.]]
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[[Category: aspartyl protease]]
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[[Category: Aspartyl protease]]
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[[Category: hiv-1]]
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[[Category: Hiv-1]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: inhibitor]]
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[[Category: Inhibitor]]
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[[Category: protease]]
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[[Category: Protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 21:57:00 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:20:21 2008''
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Revision as of 18:57, 3 May 2008

Image:2cem.gif

Template:STRUCTURE 2cem

P1' EXTENDED HIV-1 PROTEASE INHIBITORS ENCOMPASSING A TERTIARY ALCOHOL IN THE TRANSITION-STATE MIMICKING SCAFFOLD


Overview

Two series of P1'-extended HIV-1 protease inhibitors comprising a tertiary alcohol in the transition-state mimic exhibiting Ki values ranging from 2.1 to 93 nM have been synthesized. Microwave-accelerated palladium-catalyzed cross-couplings were utilized to rapidly optimize the P1' side chain. High cellular antiviral potencies were encountered when the P1' benzyl group was elongated with a 3- or 4-pyridyl substituent (EC50 = 0.18-0.22 microM). X-ray crystallographic data were obtained for three inhibitors cocrystallized with the enzyme.

About this Structure

2CEM is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.

Reference

Microwave-accelerated synthesis of P1'-extended HIV-1 protease inhibitors encompassing a tertiary alcohol in the transition-state mimicking scaffold., Ekegren JK, Ginman N, Johansson A, Wallberg H, Larhed M, Samuelsson B, Unge T, Hallberg A, J Med Chem. 2006 Mar 9;49(5):1828-32. PMID:16509598 Page seeded by OCA on Sat May 3 21:57:00 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

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