2vg5: Difference between revisions

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[[Image:2vg5.~~jpg~~|left|200px]]

[[Image:2vg5.png|left|200px]]

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~~'''~~CRYSTAL STRUCTURES OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXES WITH THIOCARBAMATE NON-NUCLEOSIDE INHIBITORS~~'''~~

===CRYSTAL STRUCTURES OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXES WITH THIOCARBAMATE NON-NUCLEOSIDE INHIBITORS===

~~==Overview==~~

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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.~~

The line below this paragraph, {{ABSTRACT_PUBMED_18035053}}, adds the Publication Abstract to the page

(as it appears on PubMed at http://www.pubmed.gov), where 18035053 is the PubMed ID number.

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==About this Structure==

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[[Category: Zinc]]

[[Category: Zinc-finger]]

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun ~~May 4 18~~:44:13 2008''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 12:17:16 2008''

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-[[Image:2vg5.jpg|left|200px]]
+{{Seed}}
+[[Image:2vg5.png|left|200px]]
 <!--
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 {{STRUCTURE_2vg5|  PDB=2vg5  |  SCENE=  }}
-'''CRYSTAL STRUCTURES OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXES WITH THIOCARBAMATE NON-NUCLEOSIDE INHIBITORS'''
+===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.
+The line below this paragraph, {{ABSTRACT_PUBMED_18035053}}, adds the Publication Abstract to the page
+(as it appears on PubMed at http://www.pubmed.gov), where 18035053 is the PubMed ID number.
+-->
+{{ABSTRACT_PUBMED_18035053}}
 ==About this Structure==
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 [[Category: Zinc]]
 [[Category: Zinc-finger]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 18:44:13 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 12:17:16 2008''