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   Last Modified

   1 January 2024

Theoretical Organic Chemistry Nuclear Receptor Chemistry Structural Bioinformatics Rational Drug Design

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Nuclear Receptor Superfamily

 

Nuclear Receptor

This page is used for the structure-base drug design for the nuclear receptors.

 

Vitamin A acid (Retinoic Acid)

Proposed Mechanism for RXR-RAR Heterodimer

 

Structural Biology

Origin of the receptor subtype selectivity via quantum mechanics.

Motonori Tsuji, et. al. FEBS Open Bio. 7, 391-396, 2017, DOI: 10.1002/2211-5463.12188.

Receptor Subtype Selectivity via Quantum Mechanics 

Origin of the ligand recognition mechanism in the nuclear receptor superfamily.

Motonori Tsuji. J. Mol. Graph. Model. 62, 262-275, 2015.

Origin of the Ligand Recognition Mechanism 

RXRa LBD - 9cRA Ligand EntryRXRa LBD - 9cRA Ligand Entry

 

Identifying the folding mechanism and the agonism and atagonism mechanism of the ligand-binding domain in the nuclear receptor superfamily.

Motonori Tsuji. J. Struct. Biol. 185, 355-365, 2014.

The folding mechanism and the agonism and atagonism mechanism of the ligand-binding domain in the nuclear receptor superfamily

 

Molecular Mechanism

Origin of the agonism and antagonism mechanisms in the nuclear receptors via quantum mechanics.

Motonori Tsuji. J. Comput. Aided Mol. Des. 31, 577-585, 2017, DOI: 10.1007/s10822-017-0025-6.

Antagonist AF-2 Fixed Motif Perturbation Mechanism

 

A proposed molecular mechanism of ATRA for retinoid X receptors.

Motonori Tsuji, et. al. J. Comput. Aided Mol. Des. 29, 975-988, 2015.

Novel Molecular Mechanism of ATRA 

 

Structure-based Drug Design

Motonori Tsuji. Logical Drug Design for Organic Chemists (Japanese)

Design of Retinoid X Receptor Agonist

Design of Human Retinoid X Receptor Agonists

 

Design of Human Retinoid X Receptor Antagonists

 

Homology Modeling

Human Androgen Receptor DNA Binding Domain

 

Human Mineralocorticoid Receptor Ligand Binding Domain

 

Crystal Structures

Freely access our database in which the nuclear hormone receptor crystal structures registered to the Protein Data Bank have been classified on the basis of the structural information.

   Analyzed Nuclear Receptor Crystal Structure Database

 

Ligand Chemistry

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Other Useful Information

   Nuclear Receptor (Journal)

   EMBL Sequence Database

   Binding Database

 

 

Return to the Structural Bioinformatics

 

 

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