2hb3

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{{STRUCTURE_2hb3| PDB=2hb3 | SCENE= }}
{{STRUCTURE_2hb3| PDB=2hb3 | SCENE= }}
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'''Wild-type HIV-1 Protease in complex with potent inhibitor GRL06579'''
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===Wild-type HIV-1 Protease in complex with potent inhibitor GRL06579===
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==Overview==
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Structure-based design and synthesis of novel HIV protease inhibitors are described. The inhibitors are designed specifically to interact with the backbone of HIV protease active site to combat drug resistance. Inhibitor 3 has exhibited exceedingly potent enzyme inhibitory and antiviral potency. Furthermore, this inhibitor maintains impressive potency against a wide spectrum of HIV including a variety of multi-PI-resistant clinical strains. The inhibitors incorporated a stereochemically defined 5-hexahydrocyclopenta[b]furanyl urethane as the P2-ligand into the (R)-(hydroxyethylamino)sulfonamide isostere. Optically active (3aS,5R,6aR)-5-hydroxy-hexahydrocyclopenta[b]furan was prepared by an enzymatic asymmetrization of meso-diacetate with acetyl cholinesterase, radical cyclization, and Lewis acid-catalyzed anomeric reduction as the key steps. A protein-ligand X-ray crystal structure of inhibitor 3-bound HIV-1 protease (1.35 A resolution) revealed extensive interactions in the HIV protease active site including strong hydrogen bonding interactions with the backbone. This design strategy may lead to novel inhibitors that can combat drug resistance.
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(as it appears on PubMed at http://www.pubmed.gov), where 16913714 is the PubMed ID number.
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{{ABSTRACT_PUBMED_16913714}}
==About this Structure==
==About this Structure==
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[[Category: Weber, I T.]]
[[Category: Weber, I T.]]
[[Category: Active-site cavity protease inhibitor catalytic aspartic acid]]
[[Category: Active-site cavity protease inhibitor catalytic aspartic acid]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 06:04:45 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 17:20:28 2008''

Revision as of 14:20, 27 July 2008

Image:2hb3.png

Template:STRUCTURE 2hb3

Wild-type HIV-1 Protease in complex with potent inhibitor GRL06579

Template:ABSTRACT PUBMED 16913714

About this Structure

2HB3 is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.

Reference

Structure-based design of novel HIV-1 protease inhibitors to combat drug resistance., Ghosh AK, Sridhar PR, Leshchenko S, Hussain AK, Li J, Kovalevsky AY, Walters DE, Wedekind JE, Grum-Tokars V, Das D, Koh Y, Maeda K, Gatanaga H, Weber IT, Mitsuya H, J Med Chem. 2006 Aug 24;49(17):5252-61. PMID:16913714

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