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Title: Crystals, molecular complexes, and methods of developing lead compounds for inhibitors of bacterial IMPDH

Abstract

The present invention relates to a data storage medium encoded with the structural coordinates of crystallized molecules and molecular complexes which comprise the active site binding pockets of bacterial IMPDH. Such data storage material is capable of displaying such molecules and molecular complexes, or their structural homologues, as a graphical three-dimensional representation on a computer screen. This invention also relates to methods of using the structure coordinates to solve the structure of homologous proteins or protein complexes. In addition, this invention relates to methods of using the structure coordinates to screen and design compounds, including inhibitory compounds, that bind to IMPDH or homologues thereof. This invention also relates to molecules and molecular complexes that comprise the active site binding pockets of IMPDH or close structural homologues of the active site binding pockets. This invention also relates to compounds and pharmaceutical compositions which are inhibitors of bacterial IMPDH.

Inventors:
; ; ; ;
Issue Date:
Research Org.:
Univ. of Chicago, IL (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1531490
Patent Number(s):
6826488
Application Number:
09/533,466
Assignee:
The University of Chicago (Chicago, IL)
Patent Classifications (CPCs):
C - CHEMISTRY C12 - BIOCHEMISTRY C12Y - ENZYMES
C - CHEMISTRY C12 - BIOCHEMISTRY C12N - MICROORGANISMS OR ENZYMES
DOE Contract Number:  
W-31-109-ENG-38
Resource Type:
Patent
Resource Relation:
Patent File Date: 2000-03-23
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES

Citation Formats

Collart, Frank R., Huberman, Eliezer, Joachimiak, Andrzej, Zhang, Rongguang, and Westbrook, Edwin M. Crystals, molecular complexes, and methods of developing lead compounds for inhibitors of bacterial IMPDH. United States: N. p., 2004. Web.
Collart, Frank R., Huberman, Eliezer, Joachimiak, Andrzej, Zhang, Rongguang, & Westbrook, Edwin M. Crystals, molecular complexes, and methods of developing lead compounds for inhibitors of bacterial IMPDH. United States.
Collart, Frank R., Huberman, Eliezer, Joachimiak, Andrzej, Zhang, Rongguang, and Westbrook, Edwin M. Tue . "Crystals, molecular complexes, and methods of developing lead compounds for inhibitors of bacterial IMPDH". United States. https://www.osti.gov/servlets/purl/1531490.
@article{osti_1531490,
title = {Crystals, molecular complexes, and methods of developing lead compounds for inhibitors of bacterial IMPDH},
author = {Collart, Frank R. and Huberman, Eliezer and Joachimiak, Andrzej and Zhang, Rongguang and Westbrook, Edwin M.},
abstractNote = {The present invention relates to a data storage medium encoded with the structural coordinates of crystallized molecules and molecular complexes which comprise the active site binding pockets of bacterial IMPDH. Such data storage material is capable of displaying such molecules and molecular complexes, or their structural homologues, as a graphical three-dimensional representation on a computer screen. This invention also relates to methods of using the structure coordinates to solve the structure of homologous proteins or protein complexes. In addition, this invention relates to methods of using the structure coordinates to screen and design compounds, including inhibitory compounds, that bind to IMPDH or homologues thereof. This invention also relates to molecules and molecular complexes that comprise the active site binding pockets of IMPDH or close structural homologues of the active site binding pockets. This invention also relates to compounds and pharmaceutical compositions which are inhibitors of bacterial IMPDH.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2004},
month = {11}
}

Patent:

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