TI-3D FACILITIES : MACROMOLECULAR CRYSTALLOGRAPHY FACILITY

The main goal of the facility is to support structural biology research on the UT campus. The facility maintains state of the art X-ray equipment and ancillary equipment to complement crystallization experiments. In addition it provides training and support services to allow new users to solve and evaluate macromolecular structures.

Website:

http://www.icmb.utexas.edu/core/xray/

Equipment:

image description Rigaku MicroMax 007 X-ray generator (x1) Rigaku
image description Phoenix liquid handling crystallization robot (x1) Rigaku
image description Fine focus mirror systems (x3)
image description Rigaku Raxis IV++ X-ray detectors (x3) Rigaku
image description Rigaku RU3H X-ray generators (x1) Rigaku

Oxford Coldstream Cryocoolers (x3)

Microscopes and related tools for crystal freezing and handling

Software:

The facility maintains state of the art crystallography software, including HKL2000, the CCP4 and CNS program suites along with building and display software like COOT and PyMol.

Virtual Screening:

The Protein Crystallography Core Facility also houses the Virtual Screening section of the TI-3D. This includes a 64 core parallel computer, and modern drug docking software, such as GOLD and ICM.

Virtual screening is the name given to the process of docking three-dimensional models of drug-like compounds into three dimensional models of potential drug receptors, usually proteins. Such computational methods are far faster, and cheaper, than physically testing tens of thousands of potential drugs in chemical or cell-based assays, which has been a standard in the pharmaceutical industry for generations. The ligands to be docked may have a number of rotatable bonds, generating a huge number of potential conformations to be examined; energetic calculations are used to rank protein-ligand interactions. Today all large pharmaceutical houses use virtual screening operations to facilitate their drug discovery programs.

The accompanying movie shows the program ICM docking trial compounds into the active site of the drug target enzyme ricin.

Location:

Mailing Address
The University of Texas at Austin
1 University Station
Austin, TX 78712
Mail Code: Currently Unavailable

Physical Location
The University of Texas at Austin
Robert A. Welch Hall
Map

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Director:

Art Monzingo
The University of Texas at Austin
Institute for Cellular and Molecular Biology, College of Natural Sciences
1 University Station A4800
Austin, TX 78712
Phone: (512) 471 6884

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