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6T1S
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BU of 6t1s by Molmil
PPAR mutant
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, SULFATE ION
Authors:Rochel, N.
Deposit date:2019-10-05
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of PPARg mutant
To Be Published
6U25
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BU of 6u25 by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST
Descriptor: GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
Authors:Sack, J.
Deposit date:2019-08-19
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.
J.Med.Chem., 62, 2019
6TLQ
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BU of 6tlq by Molmil
ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand Glenmark
Descriptor: 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, CHOLESTEROL, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-12-03
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
6T4J
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BU of 6t4j by Molmil
ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand FM26
Descriptor: 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-14
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
6T4X
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BU of 6t4x by Molmil
ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric ligand FM26
Descriptor: 25-HYDROXYCHOLESTEROL, 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-15
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
6T4Y
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BU of 6t4y by Molmil
ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric ligand MRL871
Descriptor: 25-HYDROXYCHOLESTEROL, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-15
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
6T4G
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BU of 6t4g by Molmil
ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand FM26
Descriptor: 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, CHOLESTEROL, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-14
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
6T2M
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BU of 6t2m by Molmil
VDR-ZK168281 complex
Descriptor: Nuclear receptor coactivator 1, Vitamin D3 receptor A, ethyl (~{Z})-3-[1-[(~{E},1~{R},4~{R})-4-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[(2~{Z})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate
Authors:Rochel, N, Belorusova, A.Y.
Deposit date:2019-10-09
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Analysis of VDR Complex with ZK168281 Antagonist.
J.Med.Chem., 63, 2020
6T4I
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BU of 6t4i by Molmil
ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand MRL871
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, CHOLESTEROL, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-14
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
6T4U
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BU of 6t4u by Molmil
ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and allosteric ligand MRL871
Descriptor: (3alpha,8alpha)-cholest-5-ene-3,20-diol, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-15
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
6UCG
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BU of 6ucg by Molmil
Retinoic acid receptor-related orphan receptor (ROR) gamma in complex with allosteric compound 28
Descriptor: (3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid, Nuclear receptor ROR-gamma
Authors:Palte, R.L, Parthasarathy, G.
Deposit date:2019-09-16
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Discovery ofN-(Indazol-3-yl)piperidine-4-carboxylic Acids as ROR gamma t Allosteric Inhibitors for Autoimmune Diseases.
Acs Med.Chem.Lett., 11, 2020
5JMM
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BU of 5jmm by Molmil
Crystal structure of hERa-LBD (Y537S) in complex with biochanin A
Descriptor: 1,2-ETHANEDIOL, 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one, Estrogen receptor, ...
Authors:Delfosse, V, Bourguet, W.
Deposit date:2016-04-29
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of hERa-LBD (Y537S) in complex with biochanin A
To Be Published
3LMP
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BU of 3lmp by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2010-01-31
Release date:2010-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives
Bioorg.Med.Chem.Lett., 20, 2010
3GWX
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BU of 3gwx by Molmil
MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
Descriptor: 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA))
Authors:Xu, H.E, Lambert, M.H, Montana, V.G, Parks, D.J, Blanchard, S.G, Brown, P.J, Sternbach, D.D, Lehmann, J.M, Wisely, G.B, Willson, T.M, Kliewer, S.A, Milburn, M.V.
Deposit date:1999-04-26
Release date:2000-04-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
5K38
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BU of 5k38 by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain
Descriptor: Nuclear receptor ROR-gamma
Authors:Lu, J, Rastinejad, F.
Deposit date:2016-05-19
Release date:2017-05-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain
To be published
5K74
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BU of 5k74 by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with SBI0655870
Descriptor: Nuclear receptor ROR-gamma, ~{N}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{N}-(2-methylpropyl)-1-phenyl-methanesulfonamide
Authors:Lu, J, Rastinejad, F.
Deposit date:2016-05-25
Release date:2017-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with SBI0655870
To be published
7VWH
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BU of 7vwh by Molmil
human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic agonist JKPL39
Descriptor: (2S)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Miyachi, H.
Deposit date:2021-11-10
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
7VWE
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BU of 7vwe by Molmil
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic partial agonist JK122
Descriptor: 5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Miyachi, H.
Deposit date:2021-11-10
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
7VWF
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BU of 7vwf by Molmil
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic agonist TIPP204
Descriptor: (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Miyachi, H.
Deposit date:2021-11-10
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
7VWG
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BU of 7vwg by Molmil
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic alpha/delta dual agonist JKPL38
Descriptor: (2S)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Miyachi, H.
Deposit date:2021-11-10
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
3GZ9
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BU of 3gz9 by Molmil
Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd) in Complex with a Full Agonist
Descriptor: (2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2009-04-06
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma.
Bioorg.Med.Chem.Lett., 19, 2009
5K3L
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BU of 5k3l by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with 444
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma
Authors:Huang, P, Rastinejad, F.
Deposit date:2016-05-19
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with 444
To be published
3H52
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BU of 3h52 by Molmil
Crystal structure of the antagonist form of human glucocorticoid receptor
Descriptor: 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, GLYCEROL, Glucocorticoid receptor, ...
Authors:Schoch, G.A, Benz, J, D'Arcy, B, Stihle, M, Burger, D, Thoma, R, Ruf, A.
Deposit date:2009-04-21
Release date:2009-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular switch in the glucocorticoid receptor: active and passive antagonist conformations
J.Mol.Biol., 395, 2010
5KCC
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BU of 5kcc by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N)
Descriptor: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2016-06-06
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.386 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
1OSH
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BU of 1osh by Molmil
A Chemical, Genetic, and Structural Analysis of the nuclear bile acid receptor FXR
Descriptor: Bile acid receptor, METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE
Authors:Downes, M, Verdecia, M.A, Roecker, A.J, Hughes, R, Hogenesch, J.B, Kast-Woelbern, H.R, Bowman, M.E, Ferrer, J.-L, Anisfeld, A.M, Edwards, P.A, Rosenfeld, J.M, Alvarez, J.G.A, Noel, J.P, Nicolaou, K.C, Evans, R.M.
Deposit date:2003-03-19
Release date:2003-09-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A chemical, genetic, and structural analysis of the nuclear bile acid receptor FXR
Mol.Cell, 11, 2003

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