Subject: RE: 2C9 online website

From: "Bienstock, Rachelle (NIH/NIEHS)" <biensto1$at$niehs.nih.gov>
Date: Mon, 29 Sep 2003 11:04:59 -0400

Peter:

The crystal structure of CYP 2C9 was published in Nature 424, 464 - 468 (24
July 2003)
Crystal structure of human cytochrome P450 2C9 with bound warfarin 
PAMELA A. WILLIAMS*, JOSE COSME*, ALISON WARD?, HAYLEY C. ANGOVE, DIJANA
MATAK VINKOVI & HARREN JHOTI 
Astex Technology, 436 Cambridge Science Park, Milton Road, Cambridge CB4
0QA, UK
* These authors contributed equally to this work
? Present address: AstraZeneca, R&D Charnwood, Bakewell Road, Loughborough
LE11 5RH, UK

The coordinates have been deposited in the Protein Data Bank
(http://www.rcsb.org) under accession codes 1OG2 and 1OG5,
and are freely available for download.  There are numerous free programs
available for download, or that work within
the browser (i.e Rasmol, Chime, etc..) to view the structure and potential
mutations.

Rachelle

Dr. Rachelle J. Bienstock
Molecular Modeling and Structural Biochemistry
National Institutes of Health (NIH)
National Institute of Environmental Health Sciences (NIEHS)
ITSS
P.O. Box 12233 MD F0-011
Research Triangle Park, NC 27709
Tel: (919) 541-3397
Fax: (919) 541-5737

-----Original Message-----
From: Peter Gannett [mailto:pgannett$at$hsc.wvu.edu]
Sent: Thursday, September 25, 2003 3:25 PM
To: <
Subject: CCL:2C9 online website

All:

I heard rumors of online modeling program where you can use the recently
published 2C9 crystal structure and see the model on a desktop computer and
then make mutations, etc.  Does anyone know about this?  Thanks.

Pete Gannett

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From: "Bienstock, Rachelle (NIH/NIEHS)" <biensto1$at$niehs.nih.gov>
Date: Mon, 29 Sep 2003 11:08:30 -0400

Peter:

There is also this website
http://mutdb.org/AnnoSNP/data/EX/S0/RD/AC.nt.html:

MutDB - Functionally Annotated Mutation Database 
MutDB is a resource created to provide a researchers with computational
predictions of the underlying functional causes of disease-associated
mutations. Here we provide three resources for understanding how mutations
cause disease. First, we provide a server for the automatic prediction of
the functional importance of uncharacterized, inputted disease-associated
polymorphisms (Server). Second, we provide a database of mutations that have
been annotated using comparative genomics and protein structural
information, where available (Database). Finally, we also provide tools
we've developed that we find useful (Tools).

This web service was developed at Stanford University by Sean Mooney, PhD
and was funded through an American Cancer Society Postdoctoral Fellowship.
If you have any questions feel free to email Sean Mooney.
 
Rachelle

-----Original Message-----
From: Peter Gannett [mailto:pgannett$at$hsc.wvu.edu]
Sent: Thursday, September 25, 2003 3:25 PM
To: <
Subject: CCL:2C9 online website

All:

Pete Gannett