Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 286 results

7C6Q
DownloadVisualize
BU of 7c6q by Molmil
Novel natural PPARalpha agonist with a unique binding mode
Descriptor: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Peroxisome proliferator-activated receptor alpha
Authors:Tian, S.Y, Wang, R, Zheng, W.L, Li, Y.
Deposit date:2020-05-22
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural Basis for PPARs Activation by The Dual PPAR alpha / gamma Agonist Sanguinarine: A Unique Mode of Ligand Recognition.
Molecules, 26, 2021
6P9F
DownloadVisualize
BU of 6p9f by Molmil
Crystal structure of RAR-related orphan receptor C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor
Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera, trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid
Authors:Sack, J.
Deposit date:2019-06-10
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as ROR gamma t inverse agonists.
Bioorg.Med.Chem.Lett., 29, 2019
5AVL
DownloadVisualize
BU of 5avl by Molmil
Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 32b
Descriptor: 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha
Authors:Matsui, Y, Hanzawa, H, Tamaki, K.
Deposit date:2015-06-17
Release date:2015-08-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and structure-guided optimization of tert-butyl 6-(phenoxymethyl)-3-(trifluoromethyl)benzoates as liver X receptor agonists
Bioorg.Med.Chem.Lett., 25, 2015
4J5W
DownloadVisualize
BU of 4j5w by Molmil
Crystal Structure of the apo-PXR/RXRalpha LBD Heterotetramer Complex
Descriptor: MAGNESIUM ION, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1, ...
Authors:Wallace, B.D, Betts, L, Redinbo, M.R.
Deposit date:2013-02-10
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Functional Analysis of the Human Nuclear Xenobiotic Receptor PXR in Complex with RXRalpha.
J.Mol.Biol., 425, 2013
5NMA
DownloadVisualize
BU of 5nma by Molmil
Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain
Descriptor: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N, Belorusova, A.Y.
Deposit date:2017-04-05
Release date:2017-05-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain.
Eur J Med Chem, 134, 2017
5DV6
DownloadVisualize
BU of 5dv6 by Molmil
Human PPARgamma ligand binding dmain complexed with SB1404 in a covalent bonded form
Descriptor: N-methylidene-3-nitrobenzamide, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Jang, J.Y.
Deposit date:2015-09-21
Release date:2016-09-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human PPARgamma ligand binding dmain complexed with SB1404 in a covalent bonded form
To Be Published
4J5X
DownloadVisualize
BU of 4j5x by Molmil
Crystal Structure of the SR12813-bound PXR/RXRalpha LBD Heterotetramer Complex
Descriptor: Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1, Retinoic acid receptor RXR-alpha, ...
Authors:Wallace, B.D, Betts, L, Redinbo, M.R.
Deposit date:2013-02-10
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Functional Analysis of the Human Nuclear Xenobiotic Receptor PXR in Complex with RXRalpha.
J.Mol.Biol., 425, 2013
1P8D
DownloadVisualize
BU of 1p8d by Molmil
X-Ray Crystal Structure of LXR Ligand Binding Domain with 24(S),25-epoxycholesterol
Descriptor: 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL, Oxysterols receptor LXR-beta, nuclear receptor coactivator 1 isoform 3
Authors:Williams, S, Bledsoe, R.K, Collins, J.L, Boggs, S, Lambert, M.H, Miller, A.B, Moore, J, McKee, D.D, Moore, L, Nichols, J, Parks, D, Watson, M, Wisely, B, Willson, T.M.
Deposit date:2003-05-06
Release date:2003-07-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray crystal structure of the liver X receptor beta ligand binding domain: regulation by a histidine-tryptophan switch.
J.Biol.Chem., 278, 2003
4FGY
DownloadVisualize
BU of 4fgy by Molmil
Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity
Descriptor: (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Wang, R, Li, Y.
Deposit date:2012-06-05
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Identification of the antibiotic ionomycin as an unexpected peroxisome proliferator-activated receptor Gamma (PPAR-gamma) ligand with a unique binding mode and effective glucose-lowering activity in a mouse model of diabetes.
Diabetologia, 56, 2013
4G1Y
DownloadVisualize
BU of 4g1y by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: (4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
6IJR
DownloadVisualize
BU of 6ijr by Molmil
Human PPARgamma ligand binding domain complexed with SB1495
Descriptor: 16 mer peptide from Nuclear receptor coactivator 1, N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Jang, J.Y, Han, B.W.
Deposit date:2018-10-11
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation.
Sci Rep, 9, 2019
7BO6
DownloadVisualize
BU of 7bo6 by Molmil
VDR complex with LCA derivative
Descriptor: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N.
Deposit date:2021-01-24
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Lithocholic acid-based design of noncalcemic vitamin D receptor agonists.
Bioorg.Chem., 111, 2021
6A5W
DownloadVisualize
BU of 6a5w by Molmil
FXR-LBD with HNC143 and SRC1
Descriptor: 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
8SVU
DownloadVisualize
BU of 8svu by Molmil
Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in apo form
Descriptor: GLYCEROL, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1
Authors:Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2023-05-17
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8P9W
DownloadVisualize
BU of 8p9w by Molmil
vitamin D receptor complex with Xe4MeCF3 analog
Descriptor: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-[6,6,6-tris(fluoranyl)-5-oxidanyl-5-(trifluoromethyl)hexa-1,3-diynyl]-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Belorusova, A.Y, Rochel, N.
Deposit date:2023-06-06
Release date:2024-06-26
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A vitamin D-based strategy overcomes chemoresistance in prostate cancer.
Br.J.Pharmacol., 2024
4G1D
DownloadVisualize
BU of 4g1d by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-10
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G20
DownloadVisualize
BU of 4g20 by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G21
DownloadVisualize
BU of 4g21 by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
8SVR
DownloadVisualize
BU of 8svr by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-326
Descriptor: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
Authors:Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2023-05-17
Release date:2024-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
3P88
DownloadVisualize
BU of 3p88 by Molmil
FXR bound to isoquinolinecarboxylic acid
Descriptor: 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ...
Authors:Madauss, K.P, Williams, S.P, Deaton, D.N.
Deposit date:2010-10-13
Release date:2011-08-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21, 2011
3DCU
DownloadVisualize
BU of 3dcu by Molmil
FXR with SRC1 and GSK8062
Descriptor: 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2008-06-04
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
5DSH
DownloadVisualize
BU of 5dsh by Molmil
Human PPARgamma ligand binding dmain complexed with SB1406 in a covalent bonded form
Descriptor: N-[3-(benzyloxy)phenyl]-3-nitrobenzamide, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Jang, J.Y.
Deposit date:2015-09-17
Release date:2016-09-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Human PPARgamma ligand binding dmain complexed with SB1406 in a covalent bonded form
To Be Published
6A5Z
DownloadVisualize
BU of 6a5z by Molmil
Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC180 and 9cRA and SRC1
Descriptor: (9cis)-retinoic acid, 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ...
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
8HUK
DownloadVisualize
BU of 8huk by Molmil
X-ray structure of human PPAR alpha ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by soaking
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor alpha
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 (2.981 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
6T2M
DownloadVisualize
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

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon