8RQN

Human thyroid hormone receptor beta ligand binding domain in complex with beta-selective agonist ALG-055009

This is a non-PDB format compatible entry.

Summary for 8RQN

• Entry DOI: 10.2210/pdb8rqn/pdb
• Descriptor: Thyroid hormone receptor beta, 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione (2 entities in total)
• Functional Keywords: thyroid receptor beta, thyroid receptor alpha, nuclear receptors, thyroid receptor agonist, thyroid receptor ligand, structure-based drug design, membrane protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 32258.76

Authors

Lammens, A.,Maskos, K.,Stoycheva, A.D.,McGowan, D.C. (deposition date: 2024-01-18, release date: 2024-09-11, Last modification date: 2024-09-25)

• Primary citation: Vandyck, K.,McGowan, D.C.,Luong, X.G.,Stevens, S.K.,Jekle, A.,Gupta, K.,Misner, D.L.,Chanda, S.,Serebryany, V.,Welch, M.,Hu, H.,Lv, Z.,Williams, C.,Maskos, K.,Lammens, A.,Stoycheva, A.D.,Lin, T.I.,Blatt, L.M.,Beigelman, L.N.,Symons, J.A.,Raboisson, P.,Deval, J.; Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.; J.Med.Chem., 67:14840-14851, 2024; PubMed: 39221768; DOI: 10.1021/acs.jmedchem.4c01029

Experimental method

X-RAY DIFFRACTION (2.88 Å)