Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

3RUU
DownloadVisualize
BU of 3ruu by Molmil
FXR with SRC1 and GSK237
Descriptor: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2011-05-05
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
6D3E
DownloadVisualize
BU of 6d3e by Molmil
PPARg LBD in Complex with SR1988
Descriptor: 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma
Authors:Frkic, R.L, Bruning, J.B.
Deposit date:2018-04-15
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:Structural and Dynamic Elucidation of a Non-acid PPARgammaPartial Agonist: SR1988.
Nucl Receptor Res, 5, 2018
3RUT
DownloadVisualize
BU of 3rut by Molmil
FXR with SRC1 and GSK359
Descriptor: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2011-05-05
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
6CHW
DownloadVisualize
BU of 6chw by Molmil
Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942.
Descriptor: 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ...
Authors:Larsen, N.A.
Deposit date:2018-02-23
Release date:2018-03-21
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
6C42
DownloadVisualize
BU of 6c42 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1156
Descriptor: (2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol, Estrogen receptor
Authors:Fanning, S.W, Hodges-Gallager, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J.
Deposit date:2018-01-11
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
2IHQ
DownloadVisualize
BU of 2ihq by Molmil
Crystal Structure of the Rat Androgen Receptor Ligand Binding Domian Complex with an N-Aryl-Hydroxybicyclohydantoin
Descriptor: 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE, Androgen receptor
Authors:Sack, J.S.
Deposit date:2006-09-27
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of potent, orally-active, and muscle-selective androgen receptor modulators based on an N-aryl-hydroxybicyclohydantoin scaffold.
J.Med.Chem., 49, 2006
6CN6
DownloadVisualize
BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
Descriptor: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
3RVF
DownloadVisualize
BU of 3rvf by Molmil
FXR with SRC1 and GSK2034
Descriptor: 5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2011-05-06
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
6C1I
DownloadVisualize
BU of 6c1i by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Fuhrmann, J, Brust, R, Kojetin, D.J.
Deposit date:2018-01-04
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:A structural mechanism for directing corepressor-selective inverse agonism of PPAR gamma.
Nat Commun, 9, 2018
2I4P
DownloadVisualize
BU of 2i4p by Molmil
Crystal structure of the complex between PPARgamma and the partial agonist LT127 (ureidofibrate derivative). Structure obtained from crystals of the apo-form soaked for 30 days.
Descriptor: (2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Mazza, F.
Deposit date:2006-08-22
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands.
J.Biol.Chem., 282, 2007
2I4J
DownloadVisualize
BU of 2i4j by Molmil
Crystal structure of the complex between PPARgamma and the agonist LT160 (ureidofibrate derivative)
Descriptor: (2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Mazza, F.
Deposit date:2006-08-22
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands
J.Biol.Chem., 282, 2007
3S9S
DownloadVisualize
BU of 3s9s by Molmil
Ligand binding domain of PPARgamma complexed with a benzimidazole partial agonist
Descriptor: 1-(3,4-dichlorobenzyl)-2-methyl-N-[(1R)-1-phenylpropyl]-1H-benzimidazole-5-carboxamide, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Lambert, M.H, Xu, R.X.
Deposit date:2011-06-02
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of GSK1997132B a novel centrally penetrant benzimidazole PPARgamma partial agonist.
Bioorg.Med.Chem.Lett., 21, 2011
2I0G
DownloadVisualize
BU of 2i0g by Molmil
Benzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs) with Novel Activity in Models of Benign Prostatic Hyperplasia
Descriptor: (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor beta
Authors:Wang, Y.
Deposit date:2006-08-10
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Benzopyrans are selective estrogen receptor Beta agonists with novel activity in models of benign prostatic hyperplasia.
J.Med.Chem., 49, 2006
6BR2
DownloadVisualize
BU of 6br2 by Molmil
Structure of RORgt in complex with a novel isoquinoline inverse agonist.
Descriptor: (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma
Authors:Skene, R.J, Hoffman, I.
Deposit date:2017-11-29
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist.
J. Med. Chem., 61, 2018
2HFP
DownloadVisualize
BU of 2hfp by Molmil
Crystal Structure of PPAR Gamma with N-sulfonyl-2-indole carboxamide ligands
Descriptor: 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE, Peroxisome proliferator-activated receptor gamma, SRC Peptide Fragment
Authors:Pokross, M.E, Evdokimov, A.G, Walter, R.L, Mekel, M.J, Hopkins, C.R.
Deposit date:2006-06-25
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of novel N-sulfonyl-2-indole carboxamides as potent PPAR-gamma binding agents with potential application to the treatment of osteoporosis.
Bioorg.Med.Chem.Lett., 16, 2006
6D0F
DownloadVisualize
BU of 6d0f by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 3OHTPE and GRIP Peptide
Descriptor: 4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol, Estrogen receptor, GRIP Peptide
Authors:Fanning, S.W, Han, R, Maximov, P, Jordan, V.C, Greene, G.L.
Deposit date:2018-04-10
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 3OHTPE and GRIP Peptide
To Be Published
6BN6
DownloadVisualize
BU of 6bn6 by Molmil
IDENTIFICATION OF BICYCLIC HEXAFLUOROISOPROPYL ALCOHOL SULFONAMIDES AS RORGT/RORC INVERSE AGONISTS
Descriptor: 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor ROR-gamma, SULFATE ION
Authors:Sack, J.
Deposit date:2017-11-16
Release date:2017-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
2HAR
DownloadVisualize
BU of 2har by Molmil
Crystal structure of VDR LBD in complex with 2 alpha-(3-hydroxy-1-propoxy) calcitriol
Descriptor: 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor
Authors:Hourai, S, Rochel, N, Moras, D.
Deposit date:2006-06-13
Release date:2006-08-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
2GL8
DownloadVisualize
BU of 2gl8 by Molmil
Human Retinoic acid receptor RXR-gamma ligand-binding domain
Descriptor: Retinoic acid receptor RXR-gamma
Authors:Min, J.R, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-04-04
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Crystal Structure of Human Retinoic acid receptor RXR-gamma ligand-binding domain.
To be Published
6B30
DownloadVisualize
BU of 6b30 by Molmil
Structure of RORgt in complex with a novel inverse agonist 1
Descriptor: N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide, Nuclear receptor ROR-gamma
Authors:Skene, R.J, Hoffman, I.
Deposit date:2017-09-20
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of orally efficacious ROR gamma t inverse agonists, part 1: Identification of novel phenylglycinamides as lead scaffolds.
Bioorg. Med. Chem., 26, 2018
6AN1
DownloadVisualize
BU of 6an1 by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand AM-879
Descriptor: 4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Veras, H, Figueira, A.C, le Maire, A.
Deposit date:2017-08-11
Release date:2018-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.687 Å)
Cite:Screening for PPAR Non-Agonist Ligands Followed by Characterization of a Hit, AM-879, with Additional No-Adipogenic and cdk5-Mediated Phosphorylation Inhibition Properties.
Front Endocrinol (Lausanne), 9, 2018
2HB7
DownloadVisualize
BU of 2hb7 by Molmil
Crystal structure of VDR LBD in complex with 2alpha(3-hydroxy-1-propyl) calcitriol
Descriptor: 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor
Authors:Hourai, S, Rochel, N, Moras, D.
Deposit date:2006-06-14
Release date:2006-08-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
6D8X
DownloadVisualize
BU of 6d8x by Molmil
PPAR gamma LBD complexed with the agonist GW1929
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CITRATE ANION, GLYCEROL, ...
Authors:Mou, T.C, Chrisman, I.M, Hughes, T.S, Sprang, S.R.
Deposit date:2018-04-27
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:PPAR gamma LBD complexed with the agonist GW1929
To Be Published
3TY0
DownloadVisualize
BU of 3ty0 by Molmil
Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione
Descriptor: (5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Soisson, S.M, Meinke, P.M, McKeever, B, Liu, W.
Deposit date:2011-09-23
Release date:2011-11-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor gamma (PPAR-gamma) modulators.
J.Med.Chem., 54, 2011
6D94
DownloadVisualize
BU of 6d94 by Molmil
Crystal structure of PPAR gamma in complex with Mediator of RNA polymerase II transcription subunit 1
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Mediator of RNA polymerase II transcription subunit 1, Peroxisome proliferator-activated receptor gamma
Authors:Mou, T.C, Chrisman, I.M, Hughes, T.S, Sprang, S.R.
Deposit date:2018-04-27
Release date:2019-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structural mechanism of nuclear receptor biased agonism.
Proc.Natl.Acad.Sci.USA, 119, 2022

222624

PDB entries from 2024-07-17

PDB statisticsPDBj update infoContact PDBjnumon