2nsd

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
-
[[Image:2nsd.jpg|left|200px]]
+
{{Seed}}
 +
[[Image:2nsd.png|left|200px]]
<!--
<!--
Line 9: Line 10:
{{STRUCTURE_2nsd| PDB=2nsd | SCENE= }}
{{STRUCTURE_2nsd| PDB=2nsd | SCENE= }}
-
'''Enoyl acyl carrier protein reductase InhA in complex with N-(4-methylbenzoyl)-4-benzylpiperidine'''
+
===Enoyl acyl carrier protein reductase InhA in complex with N-(4-methylbenzoyl)-4-benzylpiperidine===
-
==Overview==
+
<!--
-
InhA, the enoyl acyl carrier protein reductase (ENR) from Mycobacterium tuberculosis, is one of the key enzymes involved in the type II fatty acid biosynthesis pathway of M. tuberculosis. We report here the discovery, through high-throughput screening, of a series of arylamides as a novel class of potent InhA inhibitors. These direct InhA inhibitors require no mycobacterial enzymatic activation and thus circumvent the resistance mechanism to antitubercular prodrugs such as INH and ETA that is most commonly observed in drug-resistant clinical isolates. The crystal structure of InhA complexed with one representative inhibitor reveals the binding mode of the inhibitor within the InhA active site. Further optimization through a microtiter synthesis strategy followed by in situ activity screening led to the discovery of a potent InhA inhibitor with in vitro IC(50)=90 nM, representing a 34-fold potency improvement over the lead compound.
+
The line below this paragraph, {{ABSTRACT_PUBMED_17723305}}, adds the Publication Abstract to the page
 +
(as it appears on PubMed at http://www.pubmed.gov), where 17723305 is the PubMed ID number.
 +
-->
 +
{{ABSTRACT_PUBMED_17723305}}
==About this Structure==
==About this Structure==
Line 28: Line 32:
[[Category: Inha]]
[[Category: Inha]]
[[Category: Oxidoreductase]]
[[Category: Oxidoreductase]]
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 09:51:20 2008''
+
 
 +
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 23:28:19 2008''

Revision as of 20:28, 27 July 2008

Template:STRUCTURE 2nsd

Enoyl acyl carrier protein reductase InhA in complex with N-(4-methylbenzoyl)-4-benzylpiperidine

Template:ABSTRACT PUBMED 17723305

About this Structure

2NSD is a Single protein structure of sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA.

Reference

Inhibition of the Mycobacterium tuberculosis enoyl acyl carrier protein reductase InhA by arylamides., He X, Alian A, Ortiz de Montellano PR, Bioorg Med Chem. 2007 Nov 1;15(21):6649-58. Epub 2007 Aug 15. PMID:17723305

Page seeded by OCA on Sun Jul 27 23:28:19 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Personal tools