2vg7: Difference between revisions
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[[Image:2vg7.jpg|left|200px]] | [[Image:2vg7.jpg|left|200px]] | ||
'''CRYSTAL STRUCTURES OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXES WITH THIOCARBAMATE NON-NUCLEOSIDE INHIBITORS''' | {{Structure | ||
|PDB= 2vg7 |SIZE=350|CAPTION= <scene name='initialview01'>2vg7</scene>, resolution 2.82Å | |||
|SITE= <scene name='pdbsite=AC1:Nni+Binding+Site+For+Chain+A'>AC1</scene> | |||
|LIGAND= <scene name='pdbligand=NNI:'>NNI</scene> | |||
|ACTIVITY= | |||
|GENE= | |||
}} | |||
'''CRYSTAL STRUCTURES OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXES WITH THIOCARBAMATE NON-NUCLEOSIDE INHIBITORS''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2VG7 is a [ | 2VG7 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=2VG7 OCA]. | ||
==Reference== | ==Reference== | ||
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors., Spallarossa A, Cesarini S, Ranise A, Ponassi M, Unge T, Bolognesi M, Biochem Biophys Res Commun. 2008 Jan 25;365(4):764-70. Epub 2007 Nov 21. PMID:[http:// | Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors., Spallarossa A, Cesarini S, Ranise A, Ponassi M, Unge T, Bolognesi M, Biochem Biophys Res Commun. 2008 Jan 25;365(4):764-70. Epub 2007 Nov 21. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18035053 18035053] | ||
[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: Unge, T.]] | [[Category: Unge, T.]] | ||
[[Category: NNI]] | [[Category: NNI]] | ||
[[Category: | [[Category: aid]] | ||
[[Category: aspartyl protease]] | [[Category: aspartyl protease]] | ||
[[Category: capsid maturation]] | [[Category: capsid maturation]] | ||
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[[Category: multifunctional enzyme]] | [[Category: multifunctional enzyme]] | ||
[[Category: myristate]] | [[Category: myristate]] | ||
[[Category: non-nucleoside reverse transcriptase | [[Category: non-nucleoside reverse transcriptase inhibitor]] | ||
[[Category: nuclease]] | [[Category: nuclease]] | ||
[[Category: nucleotidyltransferase]] | [[Category: nucleotidyltransferase]] | ||
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[[Category: rna-binding]] | [[Category: rna-binding]] | ||
[[Category: rna-directed dna polymerase]] | [[Category: rna-directed dna polymerase]] | ||
[[Category: | [[Category: thiocarbamate]] | ||
[[Category: transferase]] | [[Category: transferase]] | ||
[[Category: viral nucleoprotein]] | [[Category: viral nucleoprotein]] | ||
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[[Category: zinc-finger]] | [[Category: zinc-finger]] | ||
''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 18:46:09 2008'' | ||
Revision as of 16:46, 20 March 2008
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| 2vg7, resolution 2.82Å | |||||||||||||
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| Sites: | AC1 | ||||||||||||
| Ligands: | NNI | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
CRYSTAL STRUCTURES OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXES WITH THIOCARBAMATE NON-NUCLEOSIDE INHIBITORS
Overview
O-Phthalimidoethyl-N-arylthiocarbamates (TCs) have been recently identified as a new class of potent HIV-1 reverse transcriptase (RT) non-nucleoside inhibitors (NNRTIs), by means of computer-aided drug design techniques [Ranise A. Spallarossa, S. Cesarini, F. Bondavalli, S. Schenone, O. Bruno, G. Menozzi, P. Fossa, L. Mosti, M. La Colla, et al., Structure-based design, parallel synthesis, structure-activity relationship, and molecular modeling studies of thiocarbamates, new potent non-nucleoside HIV-1 reverse transcriptase inhibitor isosteres of phenethylthiazolylthiourea derivatives, J. Med. Chem. 48 (2005) 3858-3873]. To elucidate the atomic details of RT/TC interaction and validate an earlier TC docking model, the structures of three RT/TC complexes were determined at 2.8-3.0A resolution by X-ray crystallography. The conformations adopted by the enzyme-bound TCs were analyzed and compared with those of bioisosterically related NNRTIs.
About this Structure
2VG7 is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.
Reference
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors., Spallarossa A, Cesarini S, Ranise A, Ponassi M, Unge T, Bolognesi M, Biochem Biophys Res Commun. 2008 Jan 25;365(4):764-70. Epub 2007 Nov 21. PMID:18035053
Page seeded by OCA on Thu Mar 20 18:46:09 2008
Proteopedia Page Contributors and Editors (what is this?)
- Pages with broken file links
- Human immunodeficiency virus 1
- Single protein
- Bolognesi, M.
- Cesarini, S.
- Ponassi, M.
- Ranise, A.
- Spallarossa, A.
- Unge, T.
- NNI
- Aid
- Aspartyl protease
- Capsid maturation
- Core protein
- Cytoplasm
- Dna integration
- Dna recombination
- Dna-directed dna polymerase
- Endonuclease
- Hiv-1
- Hydrolase
- Lipoprotein
- Magnesium
- Membrane
- Metal-binding
- Multifunctional enzyme
- Myristate
- Non-nucleoside reverse transcriptase inhibitor
- Nuclease
- Nucleotidyltransferase
- Nucleus
- Phosphorylation
- Protease
- Reverse transcriptase
- Rna-binding
- Rna-directed dna polymerase
- Thiocarbamate
- Transferase
- Viral nucleoprotein
- Virion
- Zinc
- Zinc-finger
