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PDB: 283 results

1NQ7
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BU of 1nq7 by Molmil
Characterization of ligands for the orphan nuclear receptor RORbeta
Descriptor: 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-2,4,6-TRIENOIC ACID, NUCLEAR RECEPTOR ROR-BETA, STEROID RECEPTOR COACTIVATOR-1
Authors:Stehlin-Gaon, C, Willmann, D, Sanglier, S, Van Dorsselaer, A, Renaud, J.-P, Moras, D, Schuele, R.
Deposit date:2003-01-21
Release date:2003-09-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:All-trans retinoic acid is a ligand for the orphan nuclear receptor RORbeta
Nat.Struct.Biol., 10, 2003
3OLL
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BU of 3oll by Molmil
Crystal structure of phosphorylated estrogen receptor beta ligand binding domain
Descriptor: ESTRADIOL, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, Rose, R, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-26
Release date:2010-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain.
Chembiochem, 11, 2010
7BQ2
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BU of 7bq2 by Molmil
X-ray structure of human PPARalpha ligand binding domain-pemafibrate-SRC1 coactivator peptide co-crystals obtained by soaking
Descriptor: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, ...
Authors:Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-03-23
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
7BQ1
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X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin)-SRC1 coactivator peptide co-crystals obtained by co-crystallization
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, PALMITIC ACID, ...
Authors:Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-03-23
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.521 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6GEV
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BU of 6gev by Molmil
Mineralocorticoid receptor in complex with (s)-13
Descriptor: 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one, GLYCEROL, Mineralocorticoid receptor, ...
Authors:Edman, K, Aagaard, A, Tangefjord, S.
Deposit date:2018-04-27
Release date:2019-01-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
7XVY
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BU of 7xvy by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN
Descriptor: (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Furuya, N, Handa, C.
Deposit date:2022-05-25
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
3UUD
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BU of 3uud by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with estradiol
Descriptor: 1,2-ETHANEDIOL, ESTRADIOL, Estrogen receptor, ...
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2011-11-28
Release date:2012-08-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
6W9I
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BU of 6w9i by Molmil
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
Descriptor: 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion
Authors:Sack, J.S.
Deposit date:2020-03-23
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.608 Å)
Cite:Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
7BQ4
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BU of 7bq4 by Molmil
X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA)-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 5,8,11,14,17-EICOSAPENTAENOIC ACID, GLYCEROL, ...
Authors:Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-03-23
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
7KXD
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BU of 7kxd by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 peptide chimera, {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
Authors:Sack, J.
Deposit date:2020-12-03
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
8HUQ
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BU of 8huq by Molmil
X-ray structure of human PPAR alpha ligand binding domain-elafibranor-SRC1 coactivator peptide co-crystals obtained by soaking
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid, GLYCEROL, ...
Authors:Kamata, S, Ishikawa, R, Akahane, M, Honda, A, Oyama, T, Ishii, I.
Deposit date:2022-12-24
Release date:2023-08-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
5HJS
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BU of 5hjs by Molmil
Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
Descriptor: 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ...
Authors:Parthasarathy, G, Klein, D.
Deposit date:2016-01-13
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
5MWY
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BU of 5mwy by Molmil
The structure of MR in complex with eplerenone.
Descriptor: Mineralocorticoid receptor, NCOA1, eplerenone
Authors:Edman, K, Aagaard, A, Backstrom, S.
Deposit date:2017-01-20
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
7BQ0
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BU of 7bq0 by Molmil
X-ray structure of human PPARalpha ligand binding domain-fenofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-03-23
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
2P54
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BU of 2p54 by Molmil
a crystal structure of PPAR alpha bound with SRC1 peptide and GW735
Descriptor: 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
Authors:Xu, R.X, Xu, H.E, Sierra, M.L, Montana, V.G, Lambert, M.H, Pianetti, P.M.
Deposit date:2007-03-14
Release date:2007-04-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Substituted 2-[(4-Aminomethyl)phenoxy]-2-methylpropionic Acid PPAR Agonists. 1.Discovery of a Novel Series of Potent HDLc Raising Agents.
J.Med.Chem., 50, 2007
5Q0K
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BU of 5q0k by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
Descriptor: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
Authors:Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
6L6K
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BU of 6l6k by Molmil
Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1
Descriptor: 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid, CALCIUM ION, Nuclear receptor coactivator 1, ...
Authors:Shimizu, K, Numoto, N, Nakano, S, Makishima, M, Kakuta, H, Ito, N.
Deposit date:2019-10-29
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1
To Be Published
6GG8
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BU of 6gg8 by Molmil
Mineralocorticoid receptor in complex with (s)-13
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Mineralocorticoid receptor, Nuclear receptor coactivator 1, ...
Authors:Edman, K, Aagaard, A, Tangefjord, S.
Deposit date:2018-05-03
Release date:2019-01-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
5Q0P
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BU of 5q0p by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
Descriptor: 4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
Authors:Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
4MGA
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BU of 4mga by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol
Descriptor: 4-(2,4,4-trimethylpentan-2-yl)phenol, Estrogen receptor, Nuclear receptor coactivator 1
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
3KMR
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BU of 3kmr by Molmil
Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment
Descriptor: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, Nuclear receptor coactivator 1, Retinoic acid receptor alpha
Authors:Bourguet, W, Teyssier, C.
Deposit date:2009-11-11
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor.
Nat.Struct.Mol.Biol., 17, 2010
5MWP
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BU of 5mwp by Molmil
The structure of MR in complex with AZD9977.
Descriptor: 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, Mineralocorticoid receptor, NCOA1 peptide
Authors:Edman, K, Aagaard, A, Backstrom, S.
Deposit date:2017-01-19
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
5L7H
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BU of 5l7h by Molmil
MCR IN COMPLEX WITH ligand
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione, Mineralocorticoid receptor, ...
Authors:Xue, Y, Aagaard, A, Backstrom, S, Edman, K.
Deposit date:2016-06-03
Release date:2016-12-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
5GTN
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BU of 5gtn by Molmil
Human PPARgamma ligand binding dmain complexed with R35
Descriptor: 2-[4-[5-[(1~{R})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Jang, J.Y, Suh, S.W.
Deposit date:2016-08-22
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for differential activities of enantiomeric PPAR gamma agonists: Binding of S35 to the alternate site.
Biochim. Biophys. Acta, 1865, 2017
4TV1
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BU of 4tv1 by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with propylparaben
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Estrogen receptor, ...
Authors:Delfosse, V, Grimaldi, M, Bourguet, W.
Deposit date:2014-06-25
Release date:2015-01-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A structural perspective on nuclear receptors as targets of environmental compounds.
Acta Pharmacol.Sin., 36, 2015

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