An interpretation of positional displacement of the helix12 in nuclear receptors: preexistent swing-up motion triggered by ligand binding.

No abstract is available for this paper.

• Publication year

  2010

• Venue

  Biochimica et Biophysica Acta

• Publication date

  2010-09-01

• Fields of study

  Biology, Medicine, Chemistry

• Identifiers
  DOI 10.1016/j.bbapap.2010.06.009PMID 20601221
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Linear response theory in dihedral angle space for protein structural change upon ligand binding

  2009cited by this paper
• Ab initio fragment molecular orbital study of molecular interactions in liganded retinoid X receptor: specification of residues associated with ligand inducible information transmission.

  2008cited by this paper
• Exploring interactions of endocrine-disrupting compounds with different conformations of the human estrogen receptor alpha ligand binding domain: a molecular docking study.

  2008cited by this paper
• Only subtle protein conformational adaptations are required for ligand binding to thyroid hormone receptors: simulations using a novel multipoint steered molecular dynamics approach.

  2008cited by this paper
• Molecular dynamics simulations of human LRH-1: the impact of ligand binding in a constitutively active nuclear receptor.

  2008cited by this paper
• Molecular basis of agonicity and antagonicity in the androgen receptor studied by molecular dynamics simulations.

  2008cited by this paper
• Ab initio fragment molecular orbital study of molecular interactions between liganded retinoid X receptor and its coactivator; part II: influence of mutations in transcriptional activation function 2 activating domain core on the molecular interactions.

  2008cited by this paper
• Ab initio fragment molecular orbital study of molecular interactions between liganded retinoid X receptor and its coactivator: roles of helix 12 in the coactivator binding mechanism.

  2007cited by this paper
• Conformational dynamics of the estrogen receptor alpha: molecular dynamics simulations of the influence of binding site structure on protein dynamics.

  2007cited by this paper
• Structural Characterization of the Human Androgen Receptor Ligand-binding Domain Complexed with EM5744, a Rationally Designed Steroidal Ligand Bearing a Bulky Chain Directed toward Helix 12*

  2007cited by this paper
• DNA and estrogen receptor interaction revealed by fragment molecular orbital calculations.

  2007cited by this paper
• The Nuclear Receptor Superfamily and Drug Discovery

  2006cited by this paper
• Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital method.

  2006cited by this paper
• Unbinding of retinoic acid from the retinoic acid receptor by random expulsion molecular dynamics.

  2006cited by this paper
• Retinoic Acid Controls the Bilateral Symmetry of Somite Formation in the Mouse Embryo

  2005cited by this paper
• Ab initio quantum mechanical study of the binding energies of human estrogen receptor α with its ligands: An application of fragment molecular orbital method

  2005cited by this paper
• Nuclear receptors and their relevance to diseases related to lipid metabolism.

  2005cited by this paper
• Protein structural change upon ligand binding: linear response theory.

  2005cited by this paper
• Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors

  2004cited by this paper
• Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes.

  2004cited by this paper
• Pathways and Networks of Nuclear Receptors and Modeling of Syndrome X

  2003cited by this paper
• Fragment molecular orbital study of the binding energy of ligands to the estrogen receptor

  2003cited by this paper
• Interaction of Transcriptional Intermediary Factor 2 Nuclear Receptor Box Peptides with the Coactivator Binding Site of Estrogen Receptor α*

  2002cited by this paper
• Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPARα

  2002cited by this paper
• Langevin stabilization of molecular dynamics

  2001cited by this paper
• Nuclear hormone receptors and gene expression.

  2001cited by this paper
• Nuclear receptor ligand-binding domains: three-dimensional structures, molecular interactions and pharmacological implications.

  2000cited by this paper
• Unbinding of retinoic acid from its receptor studied by steered molecular dynamics.

  1999cited by this paper
• An updated review of environmental estrogen and androgen mimics and antagonists.

  1998cited by this paper
• Ligand binding and co-activator assembly of the peroxisome proliferator-activated receptor-γ

  1998cited by this paper
• The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen.

  1998cited by this paper
• Crystallographic comparison of the estrogen and progesterone receptor's ligand binding domains.

  1998cited by this paper
• Large Amplitude Elastic Motions in Proteins from a Single-Parameter, Atomic Analysis.

  1996cited by this paper
• Crystal structure of the RAR-gamma ligand-binding domain bound to all-trans retinoic acid.

  1995cited by this paper
• Crystal structure of the RAR-γ ligand-binding domain bound to all-trans retinoic acid

  1995cited by this paper
• A structural role for hormone in the thyroid hormone receptor

  1995cited by this paper
• Crystal structure of the ligand-binding domain of the human nuclear receptor RXR-α

  1995cited by this paper
• Langevin dynamics of peptides: The frictional dependence of isomerization rates of N‐acetylalanyl‐N′‐methylamide

  1992cited by this paper
• Estrogen control of progesterone receptor in human breast cancer. Correlation with nuclear processing of estrogen receptor.

  1978cited by this paper
• Statistical-Mechanical Theory of Irreversible Processes : I. General Theory and Simple Applications to Magnetic and Conduction Problems

  1957cited by this paper

• Exploring Ligand Binding Domain Dynamics in the NRs Superfamily

  2022cites this paper
• Discrepancy in interactions and conformational dynamics of pregnane X receptor (PXR) bound to an agonist and a novel competitive antagonist

  2022cites this paper
• Strategies for developing pregnane X receptor antagonists: Implications from metabolism to cancer

  2019cites this paper
• Computational investigations of the binding mechanism of novel benzophenone imine inhibitors for the treatment of breast cancer

  2019cites this paper
• Molecular dynamics simulation of human estrogen receptor free and bound to morpholine ether benzophenone inhibitor

  2018cites this paper
• Computer Simulations of the Retinoid X Receptor: Conformational Dynamics and Allosteric Networks.

  2017cites this paper
• Endocrine Disrupting Chemicals Mediated through Binding Androgen Receptor Are Associated with Diabetes Mellitus

  2017cites this paper
• A Molecular Modeling Study of the Hydroxyflutamide Resistance Mechanism Induced by Androgen Receptor Mutations

  2017cites this paper
• Characterization of alternative therapeutic sites on the androgen receptor and novel protein-protein associations

  2016cites this paper
• Structures of androgen receptor bound with ligands: advancing understanding of biological functions and drug discovery

  2016cites this paper
• Characterisation of the estrogen receptors in the chicken (gallus gallus)

  2015cites this paper
• Binding affinity between AhR and exogenous/endogenous ligands: molecular simulations and biological experiment

  2015cites this paper
• Activation helix orientation of the estrogen receptor is mediated by receptor dimerization: evidence from molecular dynamics simulations.

  2015cites this paper
• Charge clamps of lysines and hydrogen bonds play key roles in the mechanism to fix helix 12 in the agonist and antagonist positions of estrogen receptor α: intramolecular interactions studied by the ab initio fragment molecular orbital method.

  2014cites this paper
• A Computational Approach to Evaluate the Androgenic Affinity of Iprodione, Procymidone, Vinclozolin and Their Metabolites

  2014cites this paper
• Allosteric mechanisms of nuclear receptors: insights from computational simulations.

  2014cites this paper
• Androgen receptor gene rearrangements: new perspectives on prostate cancer progression.

  2013cites this paper
• Allosteric conversation in the androgen receptor ligand-binding domain surfaces.

  2012cites this paper