1hvr: Difference between revisions
No edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
[[Image:1hvr.gif|left|200px]] | [[Image:1hvr.gif|left|200px]] | ||
'''RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS''' | {{Structure | ||
|PDB= 1hvr |SIZE=350|CAPTION= <scene name='initialview01'>1hvr</scene>, resolution 1.8Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=HYD:HYDROXY+GROUP'>HYD</scene> and <scene name='pdbligand=XK2:[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE'>XK2</scene> | |||
|ACTIVITY= | |||
|GENE= | |||
}} | |||
'''RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS''' | |||
==Overview== | ==Overview== | ||
| Line 7: | Line 16: | ||
==About this Structure== | ==About this Structure== | ||
1HVR is a [ | 1HVR 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=1HVR OCA]. | ||
==Reference== | ==Reference== | ||
Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors., Lam PY, Jadhav PK, Eyermann CJ, Hodge CN, Ru Y, Bacheler LT, Meek JL, Otto MJ, Rayner MM, Wong YN, et al., Science. 1994 Jan 21;263(5145):380-4. PMID:[http:// | Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors., Lam PY, Jadhav PK, Eyermann CJ, Hodge CN, Ru Y, Bacheler LT, Meek JL, Otto MJ, Rayner MM, Wong YN, et al., Science. 1994 Jan 21;263(5145):380-4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/8278812 8278812] | ||
[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| Line 18: | Line 27: | ||
[[Category: hydrolase(acid proteinase)]] | [[Category: hydrolase(acid proteinase)]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:42:11 2008'' | ||
Revision as of 09:42, 20 March 2008
| |||||||||||||
| 1hvr, resolution 1.8Å | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ligands: | HYD and XK2 | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS
Overview
Mechanistic information and structure-based design methods have been used to design a series of nonpeptide cyclic ureas that are potent inhibitors of human immunodeficiency virus (HIV) protease and HIV replication. A fundamental feature of these inhibitors is the cyclic urea carbonyl oxygen that mimics the hydrogen-bonding features of a key structural water molecule. The success of the design in both displacing and mimicking the structural water molecule was confirmed by x-ray crystallographic studies. Highly selective, preorganized inhibitors with relatively low molecular weight and high oral bioavailability were synthesized.
About this Structure
1HVR is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.
Reference
Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors., Lam PY, Jadhav PK, Eyermann CJ, Hodge CN, Ru Y, Bacheler LT, Meek JL, Otto MJ, Rayner MM, Wong YN, et al., Science. 1994 Jan 21;263(5145):380-4. PMID:8278812
Page seeded by OCA on Thu Mar 20 11:42:11 2008
