1hvh

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[[Image:1hvh.gif|left|200px]]
[[Image:1hvh.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1hvh |SIZE=350|CAPTION= <scene name='initialview01'>1hvh</scene>, resolution 1.8&Aring;
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The line below this paragraph, containing "STRUCTURE_1hvh", creates the "Structure Box" on the page.
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|SITE=
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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=Q82:{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE}'>Q82</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_1hvh| PDB=1hvh | 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=1hvh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hvh OCA], [http://www.ebi.ac.uk/pdbsum/1hvh PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1hvh RCSB]</span>
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}}
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'''NONPEPTIDE CYCLIC CYANOGUANIDINES AS HIV PROTEASE INHIBITORS'''
'''NONPEPTIDE CYCLIC CYANOGUANIDINES AS HIV PROTEASE INHIBITORS'''
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Chang, C H.]]
[[Category: Chang, C H.]]
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[[Category: acid protease]]
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[[Category: Acid protease]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 19:16:27 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:10:59 2008''
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Revision as of 16:16, 2 May 2008

Image:1hvh.gif

Template:STRUCTURE 1hvh

NONPEPTIDE CYCLIC CYANOGUANIDINES AS HIV PROTEASE INHIBITORS


Overview

Comparison of the high-resolution X-ray structures of the native HIV-1 protease and its complexes with the inhibitors suggested that the enzyme flaps are flexible. The movement at the tip of the flaps could be as large as 7 A. On the basis of this observation, cyclic cyanoguanidines have been designed, synthesized, and evaluated as HIV-1 protease (PR) inhibitors. Cyclic cyanoguanidines were found to be very potent inhibitors of HIV-1 protease. The choice of cyclic cyanoguanidines over cyclic guanidines was based on the reduced basicity of the former. X-ray structure studies of the HIV PR complex with cyclic cyanoguanidine demonstrated that in analogy to cyclic urea, cyclic cyanoguanidines also displace the unique structural water molecule. The structure-activity relationship of the cyclic cyanoguanidines is compared with that of the corresponding cyclic urea analogues. The differences in binding constants of the two series of compounds have been rationalized using high-resolution X-ray structure information.

About this Structure

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

Reference

Nonpeptide cyclic cyanoguanidines as HIV-1 protease inhibitors: synthesis, structure-activity relationships, and X-ray crystal structure studies., Jadhav PK, Woerner FJ, Lam PY, Hodge CN, Eyermann CJ, Man HW, Daneker WF, Bacheler LT, Rayner MM, Meek JL, Erickson-Viitanen S, Jackson DA, Calabrese JC, Schadt M, Chang CH, J Med Chem. 1998 Apr 23;41(9):1446-55. PMID:9554878 Page seeded by OCA on Fri May 2 19:16:27 2008

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OCA

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