PMID- 22921477
OWN - NLM
STAT- MEDLINE
DCOM- 20130214
LR  - 20131121
IS  - 1878-5867 (Electronic)
IS  - 0039-128X (Linking)
VI  - 77
IP  - 12
DP  - 2012 Oct
TI  - 3D models of human ERalpha and ERbeta complexed with 5-androsten-3beta,17beta-diol.
PG  - 1192-7
LID - S0039-128X(12)00212-7 [pii]
LID - 10.1016/j.steroids.2012.07.014 [doi]
AB  - Recently, binding of 5-androsten-3beta,17beta-diol (Delta(5)-androstenediol) to human 
      estrogen receptor-beta (ERbeta) was found to repress microglia-mediated 
      inflammation, which is associated with various neurodegenerative diseases, such 
      as multiple sclerosis. In contrast, binding of estradiol to ERbeta resulted in 
      little or no repression of microglia-mediated inflammation. Binding of 
      Delta(5)-androstenediol to ERbeta, as well as to ERalpha, is unexpected because unlike 
      estradiol, Delta(5)-androstenediol has a saturated A ring and a C19 methyl group. To 
      begin to elucidate the interaction of Delta(5)-androstenediol with both ERs, we 
      constructed 3D models of Delta(5)-androstenediol with human ERalpha and ERbeta for 
      comparison with the crystal structures of estradiol in ERalpha and ERbeta. 
      Conformational flexibility in human ERalpha and ERbeta accommodates the C19 methyl on 
      Delta(5)-androstenediol. This conformational flexibility may be relevant for binding 
      of other Delta(5)-steroids with C19 methyl substituents, such as 
      25-hydroxycholesterol and 27-hydroxycholesterol, to ERs.
CI  - Copyright (c) 2012 Elsevier Inc. All rights reserved.
FAU - Baker, Michael E
AU  - Baker ME
AD  - Department of Medicine, 0693 University of California, San Diego, 9500 Gilman 
      Drive, La Jolla, CA 92093-0693, USA. mbaker@ucsd.edu
FAU - Uh, Kayla Y
AU  - Uh KY
FAU - Chandsawangbhuwana, Charlie
AU  - Chandsawangbhuwana C
LA  - eng
PT  - Journal Article
DEP - 20120813
PL  - United States
TA  - Steroids
JT  - Steroids
JID - 0404536
RN  - 0 (Estrogen Receptor alpha)
RN  - 0 (Estrogen Receptor beta)
RN  - 4TI98Z838E (Estradiol)
RN  - 95PS51EMXY (Androstenediol)
SB  - IM
MH  - Amino Acid Sequence
MH  - Androstenediol/*metabolism
MH  - Estradiol/metabolism
MH  - Estrogen Receptor alpha/*chemistry/*metabolism
MH  - Estrogen Receptor beta/*chemistry/*metabolism
MH  - Humans
MH  - *Molecular Docking Simulation
MH  - Molecular Sequence Data
MH  - Protein Binding
MH  - Protein Conformation
MH  - Protein Stability
EDAT- 2012/08/28 06:00
MHDA- 2013/02/15 06:00
CRDT- 2012/08/28 06:00
PHST- 2012/04/13 00:00 [received]
PHST- 2012/07/12 00:00 [revised]
PHST- 2012/07/26 00:00 [accepted]
PHST- 2012/08/28 06:00 [entrez]
PHST- 2012/08/28 06:00 [pubmed]
PHST- 2013/02/15 06:00 [medline]
AID - S0039-128X(12)00212-7 [pii]
AID - 10.1016/j.steroids.2012.07.014 [doi]
PST - ppublish
SO  - Steroids. 2012 Oct;77(12):1192-7. doi: 10.1016/j.steroids.2012.07.014. Epub 2012 
      Aug 13.