scholarly journals Understanding the Selectivity of Genistein for Human Estrogen Receptor-β Using X-Ray Crystallography and Computational Methods

Structure ◽  
2004 ◽  
Vol 12 (12) ◽  
pp. 2197-2207 ◽  
Author(s):  
Eric S. Manas ◽  
Zhang B. Xu ◽  
Rayomand J. Unwalla ◽  
William S. Somers
Keyword(s):  
Estrogen Receptor ◽  
Computational Methods ◽  
Estrogen Receptor Β ◽  
X Ray ◽  
X Ray Crystallography ◽  
Human Estrogen Receptor

scholarly journals Role of Computational Methods in Going beyond X-ray Crystallography to Explore Protein Structure and Dynamics

2018 ◽  
Vol 19 (11) ◽  
pp. 3401 ◽  
Author(s):  
Ashutosh Srivastava ◽  
Tetsuro Nagai ◽  
Arpita Srivastava ◽  
Osamu Miyashita ◽  
Florence Tama
Keyword(s):  
Protein Dynamics ◽  
Computational Methods ◽  
Protein Structures ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
Insight Into

Protein structural biology came a long way since the determination of the first three-dimensional structure of myoglobin about six decades ago. Across this period, X-ray crystallography was the most important experimental method for gaining atomic-resolution insight into protein structures. However, as the role of dynamics gained importance in the function of proteins, the limitations of X-ray crystallography in not being able to capture dynamics came to the forefront. Computational methods proved to be immensely successful in understanding protein dynamics in solution, and they continue to improve in terms of both the scale and the types of systems that can be studied. In this review, we briefly discuss the limitations of X-ray crystallography in studying protein dynamics, and then provide an overview of different computational methods that are instrumental in understanding the dynamics of proteins and biomacromolecular complexes.

scholarly journals Human Estrogen Receptor β Binds DNA in a Manner Similar to and Dimerizes with Estrogen Receptor α

1997 ◽  
Vol 272 (41) ◽  
pp. 25832-25838 ◽  
Author(s):  
Paul Pace ◽  
Jacqueline Taylor ◽  
Sumathy Suntharalingam ◽  
R. Charles Coombes ◽  
Simak Ali
Keyword(s):  
Estrogen Receptor ◽  
Estrogen Receptor Α ◽  
Estrogen Receptor Β ◽  
Human Estrogen Receptor

Cloning and Characterization of Human Estrogen Receptor β Promoter

2000 ◽  
Vol 275 (2) ◽  
pp. 682-689 ◽  
Author(s):  
Long-Cheng Li ◽  
Che-Chung Yeh ◽  
Dana Nojima ◽  
Rajvir Dahiya
Keyword(s):  
Estrogen Receptor ◽  
Estrogen Receptor Β ◽  
Human Estrogen Receptor

scholarly journals Human Estrogen Receptor β 548 Is Not a Common Variant in Three Distinct Populations

Endocrinology ◽  
2003 ◽  
Vol 144 (8) ◽  
pp. 3541-3546 ◽  
Author(s):  
Li Xu ◽  
Qiang Pan-Hammarström ◽  
Asta Försti ◽  
Kari Hemminki ◽  
Lennart Hammarström ◽  
...  
Keyword(s):  
Amino Acids ◽  
Estrogen Receptor ◽  
Base Pair ◽  
Estrogen Receptor Β ◽  
Common Variant ◽  
Human Populations ◽  
Functional Characteristics ◽  
Human Estrogen Receptor

Abstract Several isoforms of estrogen receptor (ER) β (also known as NR3A2) have been reported, including variants with different N-terminal ends. In rodents, two in-frame initiation codons (ATGs) are used to produce proteins of 530 and 549 amino acids, respectively. In humans, the upstream ATG is out of frame in all clones reported, until recently, when human clones with an extra A-T base pair placing the upstream ATG in frame were reported. The authors suggested that this could represent a novel polymorphism in the ERβ gene. Because human ERβ548 (hERβ548) and hERβ530 display different functional characteristics in vitro, it is of interest to determine if this variant constitutes a polymorphism in human populations. We therefore determined the frequency of this novel isoform in several populations including African (n = 96), Caucasian (n = 100), and Asian (n = 128) subjects using denaturing HPLC. We did not detect any alleles that correspond to hERβ548 in these samples or in additional samples of heterogeneous origin. It is concluded that hERβ548 is not a common variant in Africans, Caucasians, or Asians.

scholarly journals Integrated X-ray crystallography, optical and computational methods in studies of structure and luminescence of new synthesized complexes of lanthanides with ligands derived from 2,6-diformylpyridine

Polyhedron ◽  
2011 ◽  
Vol 30 (5) ◽  
pp. 851-859 ◽  
Author(s):  
Gelson Manzoni de Oliveira ◽  
Aline Machado ◽  
Geraldo Wachholz Gomes ◽  
Jorge H.S.K. Monteiro ◽  
Marian R. Davolos ◽  
...  
Keyword(s):  
Computational Methods ◽  
X Ray ◽  
X Ray Crystallography

scholarly journals Diamagnetic cobalt(III)tris(o-ethylxanthate) and nickel(II)bis(o-ethylxanthate)

2017 ◽  
Vol 16 (2) ◽  
pp. 138-146 ◽  
Author(s):  
Filip Varga ◽  
Ján Titiš ◽  
Cyril Rajnák ◽  
Ján Moncoľ ◽  
Roman Boča
Keyword(s):  
Ir Spectroscopy ◽  
Single Crystal ◽  
Computational Methods ◽  
Magnetic Measurements ◽  
X Ray ◽  
X Ray Crystallography ◽  
Ethyl Xanthate

Abstract Diamagnetic [Co(xanth)3] and [Ni(xanth)2] complexes have been prepared by reaction of Co(II) and Ni(II) salts with potassium O-ethyl xanthate (Kxanth). The isolated Co(III) and Ni(II) complexes have been characterized by single-crystal X-ray crystallography, UV-VIS and IR spectroscopy, computational methods, and magnetic measurements.

scholarly journals Principles and characteristics of biological assemblies in experimentally determined protein structures

2019 ◽  
Author(s):  
Qifang Xu ◽  
Roland L. Dunbrack
Keyword(s):  
Physical Properties ◽  
Computational Methods ◽  
Structural Information ◽  
Protein Structures ◽  
Sequence Conservation ◽  
Homologous Proteins ◽  
X Ray ◽  
Biologically Relevant ◽  
X Ray Crystallography

AbstractMore than half of all structures in the PDB are assemblies of two or more proteins, including both homooligomers and heterooligomers. Structural information on these assemblies comes from X-ray crystallography, NMR, and cryo-EM spectroscopy. The correct assembly in an X-ray structure is often ambiguous, and computational methods have been developed to identify the most likely biologically relevant assembly based on physical properties of assemblies and sequence conservation in interfaces. Taking advantage of the large number of structures now available, some of the most recent methods have relied on similarity of interfaces and assemblies across structures of homologous proteins.

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