Uniprot accession / id : P37242  OR   Uniprot accession / id : P10828  OR   Uniprot accession / id : J3KR21
 
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Entry Information
Entry status  (1)
REL
(32)
 
Experimental methods  (1)
X-ray diffraction
(32)
 
Authors  (192)
Baxter JD
(13)
Li Y
(12)
Yao B
(12)
Yao BQ
(12)
Fletterick RJ
(10)
Webb P
(8)
Li J
(7)
Li Q
(7)
Lu Z
(7)
Wu D
(7)
Wu X
(7)
Xiang Q
(7)
Xu Y
(7)
Yu H
(7)
Zhang C
(7)
Zhang Y
(7)
Zhao S
(7)
Zhuang X
(7)
Apriletti JW
(6)
Huber BR
(6)
Togashi M
(6)
Cunha-Lima ST
(5)
Tian S
(5)
Wang R
(5)
Wei Y
(5)
Xu S
(5)
Zhang S
(5)
Zheng W
(5)
Cunha Lima ST
(4)
Nguyen HT
(4)
Sandler B
(4)
West BL
(4)
Aparicio R
(3)
Figueira AC
(3)
Koehler K
(3)
Malm J
(3)
Nunes FM
(3)
Polikarpov I
(3)
Bleicher L
(2)
Desclozeaux M
(2)
Dias SM
(2)
Farnegardh M
(2)
Figueira ACM
(2)
Färnegårdh M
(2)
Grynfarb M
(2)
Husman B
(2)
Ingraham HA
(2)
Jouravel N
(2)
Juric S
(2)
Ljunggren J
(2)
Martinez L
(2)
Mellstrom K
(2)
Mellström K
(2)
Nascimento AS
(2)
Neves FA
(2)
Nguyen P
(2)
Nilsson S
(2)
Santos MA
(2)
Santos MAM
(2)
Skaf MS
(2)
Wagner R
(2)
Agback P
(1)
Ambrosio AL
(1)
Ambrosio ALB
(1)
Ammirati MJ
(1)
Aparício R
(1)
Apelqvist T
(1)
Arnold LA
(1)
Backsbro-Saedi A
(1)
Beigelman LN
(1)
Bladh LG
(1)
Blatt LM
(1)
Blethrow J
(1)
Borngraeber S
(1)
Brandt P
(1)
Bruning JB
(1)
Budny MJ
(1)
Bäcksbro-Saeidi A
(1)
Carlsson B
(1)
Cavett V
(1)
Chalmers MJ
(1)
Chanda S
(1)
Chiang P
(1)
Chiellini G
(1)
Chrunyk BA
(1)
Cornelius P
(1)
Craievich AF
(1)
DaSilva-Jardine P
(1)
Danley DE
(1)
Darimont BD
(1)
Dejneka T
(1)
Deval J
(1)
Devasthale P
(1)
Dias SGM
(1)
Dias SMG
(1)
Donate PM
(1)
Dow RL
(1)
Doweyko AM
(1)
Einspahr H
(1)
Estebanez-Perpina E
(1)
 
More...
 
Homo / hetero assembly  (2)
homo
(17)
hetero
(15)
 
Assembly composition  (3)
protein structure
(17)
protein/protein complex
(14)
DNA/protein complex
(1)
 
Assembly polymer count  (4)
dimer
(16)
monomer
(14)
tetramer
(1)
trimer
(1)
 
Resolution distribution
1.5 - 2
(3)
2.0 - 2.5
(10)
2.5 - 3
(15)
3.0 - 3.5
(3)
3.5 - 4
(1)
 
Release year distribution
1995 - 2000
(2)
2000 - 2005
(10)
2005 - 2010
(7)
2010 - 2015
(1)
2015 - 2020
(6)
2020 - 2025
(8)
 
Journal  (12)
J Med Chem
(10)
Mol Endocrinol
(5)
iScience
(5)
Bioorg Med Chem Lett
(2)
J Biol Chem
(2)
Proc Natl Acad Sci U S A
(2)
BMC Struct Biol
(1)
Genes Dev
(1)
J Mol Biol
(1)
Nat Commun
(1)
Nature
(1)
Proteins
(1)
 
Macromolecules
Organism superkingdom  (1)
Eukaryota
(32)
 
Organism name  (1)
Homo sapiens
(32)
 
Molecule name  (4)
Nuclear receptor subfamily 1 group A member 2
(32)
Thyroid hormone receptor beta
(32)
c-erbA-2
(32)
c-erbA-beta
(32)
 
Molecule type  (1)
Protein
(32)
 
Gene names  (4)
ERBA2
(32)
NR1A2
(32)
THR1
(32)
THRB
(32)
 
Interacting Molecules  (5)
Nuclear receptor coactivator 2
(13)
Retinoic acid receptor RXR-alpha
(2)
DNA (5'-D(*CP*AP*GP*GP*TP*CP*AP*TP*TP*(5IU)P*CP*AP*GP*GP*TP*CP*AP*G)-3')
(1)
DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*GP*AP*AP*AP*TP*GP*AP*CP*CP*T P*G)-3')
(1)
PROTEIN (GRIP1)
(1)
 
Interacting ligands  (24)
4HY : [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
(7)
8HO : 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid
(5)
T3 : 3,5,3'TRIIODOTHYRONINE
(4)
ARS : ARSENIC
(2)
CAC : CACODYLATE ION
(2)
SO4 : SULFATE ION
(2)
442 : 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL
(1)
9GC : 2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid
(1)
9IF : 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid
(1)
9II : 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid
(1)
9IL : 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
(1)
9IQ : 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
(1)
9IT : 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
(1)
9IW : 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
(1)
A1H2J : 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
(1)
B72 : {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
(1)
G24 : [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID
(1)
IH5 : {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID
(1)
LEG : 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE
(1)
NA : SODIUM ION
(1)
OEF : 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID
(1)
PFA : [4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL
(1)
T44 : 3,5,3',5'-TETRAIODO-L-THYRONINE
(1)
ZN : ZINC ION
(1)
 
Function and Biology
Biological function  (5)
DNA binding
(32)
nuclear receptor activity
(32)
DNA-binding transcription factor activity
(1)
sequence-specific DNA binding
(1)
zinc ion binding
(1)
 
Biological process  (1)
regulation of DNA-templated transcription
(32)
 
Sequence and Structure classification
SCOP fold  (2)
Nuclear receptor ligand-binding domain
(10)
Glucocorticoid receptor-like (DNA-binding domain)
(1)
 
SCOP family  (2)
Nuclear receptor ligand-binding domain
(10)
Nuclear receptor
(1)
 
CATH class  (2)
Mainly Alpha
(18)
Alpha Beta
(1)
 
CATH topology  (2)
Retinoid X Receptor
(18)
Erythroid Transcription Factor GATA-1; Chain A
(1)
 
Pfam accession / name  (2)
PF00104 : Hormone_recep
(31)
PF00105 : zf-C4
(1)
 
Experimental Information
Diffraction protocol  (1)
Single wavelength
(32)
 
Diffraction radiation source type  (2)
Synchrotron
(26)
Rotating anode
(6)
 
Diffraction source  (15)
SSRF BEAMLINE BL19U1
(7)
SSRF BEAMLINE BL18U1
(4)
ALS BEAMLINE 5.0.2
(3)
ALS BEAMLINE 8.3.1
(3)
RIGAKU ULTRAX 18
(3)
RIGAKU RU200
(2)
SSRL BEAMLINE BL9-1
(2)
CHESS BEAMLINE A1
(1)
EMBL/DESY, HAMBURG BEAMLINE BW7A
(1)
EMBL/DESY, HAMBURG BEAMLINE BW7B
(1)
RIGAKU RU300
(1)
SLS BEAMLINE X10SA
(1)
SSRF BEAMLINE BL17U1
(1)
SSRL BEAMLINE BL11-1
(1)
SSRL BEAMLINE BL7-1
(1)
 
Synchrotron site  (6)
SSRF
(12)
ALS
(6)
SSRL
(4)
EMBL/DESY, Hamburg
(2)
CHESS
(1)
SLS
(1)
 
Diffraction detector type  (4)
Pixel
(14)
CCD
(9)
Image plate
(7)
Area detector
(1)
 
Refinement software  (6)
REFMAC
(16)
CNS
(9)
PHENIX
(8)
CNX
(1)
ELVES
(1)
X-PLOR
(1)
 
Representative Structures
Representative Structures
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Entries 1 to 10 of 32
Entries 1 to 10 of 32
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Human thyroid hormone receptor beta ligand binding domain in complex with beta-selective agonist ALG-055009
Lammens A, Maskos K, Stoycheva AD, McGowan DC
J Med Chem (2024) [PMID: 39221768  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: A1H2J   
Modified residues: CAF    CAF   
Assembly name: Thyroid hormone receptor beta (Preferred)   search this complex
PDBe complex ID: PDB-CPX-145480 (Preferred)   search this ID
PDBe-KB: P10828   
X-ray diffraction
2.88Å resolution
Released: 11 Sep 2024
Model geometry
Fit model/data
8rqn
8rqn
8rqn
A novel chemical derivative(56) of THRB agonist
Yao BQ, Li Y
J Med Chem (2022) [PMID: 35507418  ]
Source organism: Homo sapiens  
Assembly composition: protein/protein complex
Bound ligands: 9II   
Assembly name: Thyroid hormone receptor beta and Nuclear receptor coactivator 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-145483 (Preferred)   search this ID
PDBe-KB: P10828    Q15596   
X-ray diffraction
1.97Å resolution
Released: 18 May 2022
Model geometry
Fit model/data
7wmh
7wmh
7wmh
A novel chemical derivative(92) of THRB agonist
Yao BQ, Li Y
J Med Chem (2022) [PMID: 35507418  ]
Source organism: Homo sapiens  
Assembly composition: protein/protein complex
Bound ligands: 9IW   
Assembly name: Thyroid hormone receptor beta and Nuclear receptor coactivator 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-145483 (Preferred)   search this ID
PDBe-KB: P10828    Q15596   
X-ray diffraction
2.56Å resolution
Released: 18 May 2022
Model geometry
Fit model/data
7wmo
7wmo
7wmo
A novel chemical derivative(53) of THRB agonist
Yao BQ, Li Y
J Med Chem (2022) [PMID: 35507418  ]
Source organism: Homo sapiens  
Assembly composition: protein/protein complex
Bound ligands: 9GC   
Assembly name: Thyroid hormone receptor beta and Nuclear receptor coactivator 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-145483 (Preferred)   search this ID
PDBe-KB: P10828    Q15596   
X-ray diffraction
2.39Å resolution
Released: 18 May 2022
Model geometry
Fit model/data
7wlx
7wlx
7wlx
A novel chemical derivative(52) of THRB agonist
Yao BQ, Li Y
J Med Chem (2022) [PMID: 35507418  ]
Source organism: Homo sapiens  
Assembly composition: protein/protein complex
Bound ligands: 9IF   
Assembly name: Thyroid hormone receptor beta and Nuclear receptor coactivator 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-145483 (Preferred)   search this ID
PDBe-KB: P10828    Q15596   
X-ray diffraction
2.93Å resolution
Released: 18 May 2022
Model geometry
Fit model/data
7wmg
7wmg
7wmg
A novel chemical derivative(89) of THRB agonist
Yao BQ, Li Y
J Med Chem (2022) [PMID: 35507418  ]
Source organism: Homo sapiens  
Assembly composition: protein/protein complex
Bound ligands: 9IT   
Assembly name: Thyroid hormone receptor beta and Nuclear receptor coactivator 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-145483 (Preferred)   search this ID
PDBe-KB: P10828    Q15596   
X-ray diffraction
2.57Å resolution
Released: 18 May 2022
Model geometry
Fit model/data
7wmn
7wmn
7wmn
A novel chemical derivative(85) of THRB agonist
Yao BQ, Li Y
J Med Chem (2022) [PMID: 35507418  ]
Source organism: Homo sapiens  
Assembly composition: protein/protein complex
Bound ligands: 9IQ   
Assembly name: Thyroid hormone receptor beta and Nuclear receptor coactivator 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-145483 (Preferred)   search this ID
PDBe-KB: P10828    Q15596   
X-ray diffraction
2.67Å resolution
Released: 18 May 2022
Model geometry
Fit model/data
7wml
7wml
7wml
A novel chemical derivative(71) of THRB agonist
Yao BQ, Li Y
J Med Chem (2022) [PMID: 35507418  ]
Source organism: Homo sapiens  
Assembly composition: protein/protein complex
Bound ligands: 9IL   
Assembly name: Thyroid hormone receptor beta and Nuclear receptor coactivator 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-145483 (Preferred)   search this ID
PDBe-KB: P10828    Q15596   
X-ray diffraction
2.81Å resolution
Released: 18 May 2022
Model geometry
Fit model/data
7wmj
7wmj
7wmj
THRb mutation with a novel agonist
Yao BQ, Li Y
iScience (2019) [PMID: 31655060  ]
Source organism: Homo sapiens  
Assembly composition: protein/protein complex
Bound ligands: 8HO   
Assembly name: Thyroid hormone receptor beta and Nuclear receptor coactivator 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-145483 (Preferred)   search this ID
PDBe-KB: P10828    Q15596   
X-ray diffraction
2.7Å resolution
Released: 23 Oct 2019
Model geometry
Fit model/data
6knu
6knu
6knu
THRb mutation with a novel agonist
Yao BQ, Li Y
iScience (2019) [PMID: 31655060  ]
Source organism: Homo sapiens  
Assembly composition: protein/protein complex
Bound ligands: 8HO   
Assembly name: Thyroid hormone receptor beta and Nuclear receptor coactivator 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-145483 (Preferred)   search this ID
PDBe-KB: P10828    Q15596   
X-ray diffraction
2.577Å resolution
Released: 23 Oct 2019
Model geometry
Fit model/data
6kke
6kke
6kke
Entries 1 to 10 of 32
Entries 1 to 10 of 32