2psu
From Proteopedia
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|PDB= 2psu |SIZE=350|CAPTION= <scene name='initialview01'>2psu</scene>, resolution 1.93Å | |PDB= 2psu |SIZE=350|CAPTION= <scene name='initialview01'>2psu</scene>, resolution 1.93Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=MUU:N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE'>MUU</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= pol ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11676 Human immunodeficiency virus 1]) | |GENE= pol ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11676 Human immunodeficiency virus 1]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[2psv|2PSV]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2psu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2psu OCA], [http://www.ebi.ac.uk/pdbsum/2psu PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2psu RCSB]</span> | ||
}} | }} | ||
| Line 24: | Line 27: | ||
[[Category: Nalam, M N.L.]] | [[Category: Nalam, M N.L.]] | ||
[[Category: Schiffer, C A.]] | [[Category: Schiffer, C A.]] | ||
| - | [[Category: ACT]] | ||
| - | [[Category: MUU]] | ||
| - | [[Category: PO4]] | ||
[[Category: drug design]] | [[Category: drug design]] | ||
[[Category: hiv-1 protease]] | [[Category: hiv-1 protease]] | ||
[[Category: protease inhibitor]] | [[Category: protease inhibitor]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:40:14 2008'' |
Revision as of 01:40, 31 March 2008
| |||||||
| , resolution 1.93Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Gene: | pol (Human immunodeficiency virus 1) | ||||||
| Related: | 2PSV
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal Structure of wild type HIV-1 protease in complex with CARB-AD37
Overview
There is a clinical need for HIV protease inhibitors that can evade resistance mutations. One possible approach to designing such inhibitors relies upon the crystallographic observation that the substrates of HIV protease occupy a rather constant region within the binding site. In particular, it has been hypothesized that inhibitors which lie within this region will tend to resist clinically relevant mutations. The present study offers the first prospective evaluation of this hypothesis, via computational design of inhibitors predicted to conform to the substrate envelope, followed by synthesis and evaluation against wild-type and mutant proteases, as well as structural studies of complexes of the designed inhibitors with HIV protease. The results support the utility of the substrate envelope hypothesis as a guide to the design of robust protease inhibitors.
About this Structure
2PSU is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.
Reference
Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesis., Chellappan S, Kiran Kumar Reddy GS, Ali A, Nalam MN, Anjum SG, Cao H, Kairys V, Fernandes MX, Altman MD, Tidor B, Rana TM, Schiffer CA, Gilson MK, Chem Biol Drug Des. 2007 May;69(5):298-313. PMID:17539822
Page seeded by OCA on Mon Mar 31 04:40:14 2008
