Re: [ccp4bb] References for ligand flipping

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From: Roger Rowlett rrowlett {- at -} MAIL {- dot -} COLGATE {- dot -} EDU
Date: 2008-02-19

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Subject: Re: References for ligand flipping
From: Yong Y Wang WANG_YONG_Y {- at -} LILLY {- dot -} COM
Date: 2008-02-19

Kendall,

The story has been published. The lead paper is here:

Norman, B. H.; Dodge, J. A.; Richardson, T. I.; Borromeo, P. S.; Lugar, C.
W.; Jones, S. A.; Chen, K.; Wang, Y.; Durst, G. L.; Barr, R. J.;
Montrose-Rafizadeh, C.; Osborne, H. E.; Amos, R. M.; Guo, S.; Boodhoo, A.;
Krishnan, V.; "Benzopyrans Are Selective Estrogen Receptor Agonists with
Novel Activity in Models of Benign Prostatic Hyperplasia," J. Med. Chem.;
(Letter); 49(21): 6155-6157 (2006).

Other papers in this series are:

Richardson TI, Norman BH, Lugar CW, Jones SA, Wang Y, Durbin JD, Krishnan
V, Dodge JA. ?Benzopyrans as selective estrogen receptor beta agonists
(SERBAs). Part 2: structure-activity relationship studies on the
benzopyran scaffold,? Bioorg Med Chem Lett. 2007 Jul 1;17(13):3570-4.
(2007).
Richardson TI, Dodge JA, Durst GL, Pfeifer LA, Shah J, Wang Y, Durbin JD,
Krishnan V, Norman BH. ?Benzopyrans as selective estrogen receptor beta
agonists (SERBAs). Part 3: Synthesis of cyclopentanone and cyclohexanone
intermediates for C-ring modification,? Bioorg Med Chem Lett. Jun 20,
Epub. (2007).
Norman BH, Richardson TI, Dodge JA, Pfeifer LA, Durst GL, Wang Y, Durbin
JD, Krishnan V, Dinn SR, Liu S, Reilly JE, Ryter KT. ?Benzopyrans as
selective estrogen receptor beta agonists (SERBAs). Part 4:
Functionalization of the benzopyran A-ring,? Bioorg Med Chem Lett. Jul 13,
Epub. (2007)

Let me know if you have any question.

Yong

Yong Wang, Ph.D.
Macromolecular Crystallography
Eli Lilly and Company, DC 0403
Lilly Corporate Center
Indianapolis, IN 46285
Tel: (317) 655-9145 Fax: (317) 276-9722
E-mail: wang_yong@lilly.com

Kendall Nettles
Sent by: CCP4 bulletin board
02/18/2008 09:09 PM
Please respond to
Kendall Nettles

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Subject
Re: [ccp4bb] References for ligand flipping

Jon, I have not had any replies. I did hear a talk at an American Chemical
Society meeting on a ligand flipping between the two estrogen receptor
subtypes, but it hasn?t been published from what I can tell. Here?s a link
to the abstract.

membership.acs.org/C/COMP/pastprograms/Fall06abstracts.pdf

Kendall

On 2/18/08 8:38 PM, "Read, Jon" wrote:

Hi Kendall,
did you get any replies about this as I would be interested in hearing
about these. I have seen some talks of kinases which mention this but
can't recall the targets.

-----Original Message-----
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK]On Behalf Of
Kendall Nettles
Sent: Saturday, February 09, 2008 11:04 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] References for ligand flipping

Hi,
Thanks to everyone for suggestions on making disulfides. I do have
another
question.

Can anyone suggest some references for structures showing that a small
molecule ligand binds differently in closely related proteins?

Thanks,
Kendall
--
Kendall W. Nettles, PhD
Assistant Professor
Department of Cancer Biology
The Scripps Research Institute
5353 Parkside Dr.
Jupiter Fl 33458

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CCP4bb <-- 2008 <-- February 2008 <-- 19 February 2008

Previous message:
Subject: Re: Mosflm P21 integrating issues
From: Roger Rowlett rrowlett {- at -} MAIL {- dot -} COLGATE {- dot -} EDU
Date: 2008-02-19

Next message:
Subject: Re: Mosflm P21 integrating issues
From: Lijun Liu liulj {- at -} UOXRAY {- dot -} UOREGON {- dot -} EDU
Date: 2008-02-19