9S70
Crystal structure of RXR alpha LBD bound to a partial agonist 21 and a coactivator fragment SRC1
This is a non-PDB format compatible entry.
Summary for 9S70
| Entry DOI | 10.2210/pdb9s70/pdb |
| Related | 9S71 |
| Descriptor | Retinoic acid receptor RXR-alpha, Nuclear receptor coactivator 1, 3-[[4-cyclobutyl-6-(3,4-dihydro-2~{H}-quinolin-1-yl)pyrimidin-2-yl]amino]propanoic acid, ... (4 entities in total) |
| Functional Keywords | partial agonist, nuclear receptor, rxra, drug, transcription factor, ligand binding domain, transcription |
| Biological source | Homo sapiens (human) More |
| Total number of polymer chains | 2 |
| Total formula weight | 29137.74 |
| Authors | Morozov, V.,Merk, D.,Lewandowski, M. (deposition date: 2025-08-01, release date: 2025-10-29, Last modification date: 2025-12-24) |
| Primary citation | Lewandowski, M.,Granger-Riviere, M.,Mayer, D.,Kasch, T.,Nawa, F.,Egner, M.,Marschner, J.A.,Morozov, V.,Merk, D. Structural Tuning of Partial RXR Agonism and Antagonism. J.Med.Chem., 68:25255-25273, 2025 Cited by PubMed Abstract: Retinoid X receptors (RXRs) represent a central switch in nuclear receptor signaling and appear to hold therapeutic potential in diverse indications. However, the ability of RXR agonists to activate multiple nuclear receptor heterodimers gives rise to adverse effects, which may be avoided by partial RXR agonism. In exploring the SAR of a partial agonist scaffold, we identified a region that allowed tuning of RXR activation efficacy between various levels of partial agonism and antagonism. Co-crystal structure analysis revealed dual steric pressure and a combination of reciprocal structural effects to mediate partial agonist activity providing a molecular basis for structural tuning of RXR modulators. PubMed: 41276988DOI: 10.1021/acs.jmedchem.5c02270 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.95 Å) |
Structure validation
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