View source for 2cen

[[Image:2cen.gif|left|200px]]

 {{Structure
|PDB= 2cen |SIZE=350|CAPTION= <scene name='initialview01'>2cen</scene>, resolution 1.7&Aring;
|SITE= <scene name='pdbsite=AC1:4ah+Binding+Site+For+Chain+B'>AC1</scene>
|LIGAND= <scene name='pdbligand=4AH:{(1S)-1-[N'-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N'-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC ACID METHYL ESTER'>4AH</scene>
|ACTIVITY= [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] 
|GENE= 
}}

'''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==
2CEN is a [[Single protein]] structure of 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=2CEN 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:[http://www.ncbi.nlm.nih.gov/pubmed/16509598 16509598]
[[Category: HIV-1 retropepsin]]
[[Category: Human immunodeficiency virus 1]]
[[Category: Single protein]]
[[Category: Ekegren, J K.]]
[[Category: Ginman, N.]]
[[Category: Hallberg, A.]]
[[Category: Johansson, A.]]
[[Category: Larhed, M.]]
[[Category: Samuelsson, B.]]
[[Category: Unge, T.]]
[[Category: Wallberg, H.]]
[[Category: 4AH]]
[[Category: aspartyl protease]]
[[Category: hiv-1]]
[[Category: hydrolase]]
[[Category: inhibitor]]
[[Category: protease]]

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:14:23 2008''