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6FZF
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PPAR mutant complex
分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
著者Rochel, N.
登録日2018-03-14
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6G07
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RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-9" AND RIP140 PEPTIDE AT 1.66A
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1, ~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide
著者Kallen, J.
登録日2018-03-16
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.
J. Med. Chem., 61, 2018
6FZP
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PPAR gamma complex.
分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
著者Rochel, N, Beji, S.
登録日2018-03-15
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
3WFG
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Mineralocorticoid receptor ligand-binding domain with compuond 2e
分子名称: 1,2-ETHANEDIOL, 6-[(2S)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor
著者Sogabe, S, Habuka, N.
登録日2013-07-19
公開日2013-08-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 21, 2013
3PRG
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BU of 3prg by Molmil
LIGAND BINDING DOMAIN OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR
分子名称: PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA
著者Uppenberg, J, Svensson, C, Jaki, M, Bertilsson, G, Jendeberg, L, Berkenstam, A.
登録日1998-08-24
公開日1999-08-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the ligand binding domain of the human nuclear receptor PPARgamma.
J.Biol.Chem., 273, 1998
4BCR
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Structure of PPARalpha in complex with WY14643
分子名称: 1,2-ETHANEDIOL, 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA
著者Bernardes, A, Muniz, J.R.C, Polikarpov, I.
登録日2012-10-02
公開日2013-05-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Molecular Mechanism of Peroxisome Proliferator-Activated Receptor Alpha Activation by Wy14643: A New Mode of Ligand Recognition and Receptor Stabilization
J.Mol.Biol., 425, 2013
3N00
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Crystal Structure of a deletion mutant of human Reverba ligand binding domain bound with an NCoR ID1 peptide determined to 2.60A
分子名称: Nuclear receptor corepressor 1, Rev-erbA-alpha
著者Gampe, R, Nolte, R.
登録日2010-05-13
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Rev-erbalpha bound to N-CoR reveals a unique mechanism of nuclear receptor-co-repressor interaction.
Nat.Struct.Mol.Biol., 17, 2010
3QT0
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Revealing a steroid receptor ligand as a unique PPARgamma agonist
分子名称: 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, Nuclear receptor coactivator 1 peptide, Peroxisome proliferator-activated receptor gamma
著者Rong, H.
登録日2011-02-22
公開日2012-02-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Revealing a steroid receptor ligand as a unique PPAR gamma agonist.
Cell Res., 22, 2012
3Q95
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Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and estriol
分子名称: CHLORIDE ION, ESTRIOL, Estrogen receptor, ...
著者Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L.
登録日2011-01-07
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and Estriol
TO BE PUBLISHED
3DCT
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FXR with SRC1 and GW4064
分子名称: 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1
著者Williams, S.P, Madauss, K.P.
登録日2008-06-04
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
3D90
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Crystal structure of the human progesterone receptor ligand-binding domain bound to levonorgestrel
分子名称: 13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE, Progesterone receptor
著者Petit-Topin, I, Turque, N, Ulman, A, Gainer, E, Rafestin-Oblin, M.E, Fagart, J.
登録日2008-05-26
公開日2009-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Met909 plays a key role in the activation of the progesterone receptor and also in the high potency of 13-ethyl progestins
Mol.Pharmacol., 75, 2009
3DCU
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BU of 3dcu by Molmil
FXR with SRC1 and GSK8062
分子名称: 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
著者Williams, S.P, Madauss, K.P.
登録日2008-06-04
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
3E7C
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BU of 3e7c by Molmil
Glucocorticoid Receptor LBD bound to GSK866
分子名称: 5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide, GLYCEROL, Glucocorticoid receptor, ...
著者Madauss, K.P, Williams, S.P, Mclay, I, Stewart, E.L, Bledsoe, R.K.
登録日2008-08-18
公開日2008-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The first X-ray crystal structure of the glucocorticoid receptor bound to a non-steroidal agonist.
Bioorg.Med.Chem.Lett., 18, 2008
3E94
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Crystal structure of RXRalpha ligand binding domain in complex with tributyltin and a coactivator fragment
分子名称: ACETATE ION, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha, ...
著者Bourguet, W, Le Maire, A.
登録日2008-08-21
公開日2009-03-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Activation of RXR-PPAR heterodimers by organotin environmental endocrine disruptors
Embo Rep., 10, 2009
3ERD
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BU of 3erd by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH DIETHYLSTILBESTROL AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE
分子名称: ACETIC ACID, CHLORIDE ION, DIETHYLSTILBESTROL, ...
著者Shiau, A.K, Barstad, D, Loria, P.M, Cheng, L, Kushner, P.J, Agard, D.A, Greene, G.L.
登録日1999-03-31
公開日1999-04-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen.
Cell(Cambridge,Mass.), 95, 1998
3ET2
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BU of 3et2 by Molmil
Structure of PPARdelta with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
分子名称: 1-BUTANOL, 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor delta
著者Zhang, K.Y.J, Wang, W.
登録日2008-10-06
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
3ET0
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Structure of PPARgamma with 3-(5-Methoxy-1H-indol-3-yl)-propionic acid
分子名称: 3-(5-methoxy-1H-indol-3-yl)propanoic acid, Peroxisome proliferator-activated receptor gamma, alpha-D-glucopyranose
著者Zhang, K.Y.J, Wang, W.
登録日2008-10-06
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
3ET1
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Structure of PPARalpha with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
分子名称: 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor alpha, Steroid receptor coactivator 1
著者Zhang, K.Y.J, Wang, W.
登録日2008-10-06
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
3EYB
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BU of 3eyb by Molmil
Structural and functional insights into the ligand binding domain of a non-duplicated RXR from the invertebrate chordate amphioxus
分子名称: Nuclear hormone receptor RXR
著者Tocchini-Valentini, G.D, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE)
登録日2008-10-20
公開日2008-11-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural and functional insights into the ligand-binding domain of a nonduplicated retinoid X nuclear receptor from the invertebrate chordate amphioxus
J.Biol.Chem., 284, 2009
3FAL
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BU of 3fal by Molmil
humanRXR alpha & mouse LXR alpha complexed with Retenoic acid and GSK2186
分子名称: 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
著者Chao, E.Y, Caravella, J.A, Watson, M.A, Campobasso, N, Ghisletti, S, Billin, A.N, Galardi, C, Willson, T.M, Zuercher, W.J, Collins, J.L.
登録日2008-11-17
公開日2009-04-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity.
J.Med.Chem., 51, 2008
3F7D
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SF-1 LBD bound by phosphatidylcholine
分子名称: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, nuclear receptor SF-1
著者Sablin, E.P, Fletterick, R.J.
登録日2008-11-07
公開日2008-12-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of SF-1 bound by different phospholipids: evidence for regulatory ligands.
Mol.Endocrinol., 23, 2009
3FLI
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Discovery of XL335, a Highly Potent, Selective and Orally-Active Agonist of the Farnesoid X Receptor (FXR)
分子名称: 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor
著者Foster, P.G, Stout, T.J.
登録日2008-12-18
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR).
J.Med.Chem., 52, 2009
3FEJ
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Design and biological evaluation of novel, balanced dual PPARa/g agonists
分子名称: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peroxisome proliferator-activated receptor gamma, peptide motif 3 of Nuclear receptor coactivator 1
著者Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Kuhn, B, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M.
登録日2008-11-30
公開日2009-10-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
3GBK
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Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with a Potent and Selective Agonist
分子名称: 2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Peng, Y.-H, Lin, C.-H, Hsieh, H.-P, Wu, S.-Y.
登録日2009-02-19
公開日2009-12-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and structural analysis of novel pharmacophores for potent and selective peroxisome proliferator-activated receptor gamma agonists
J.Med.Chem., 52, 2009
3FUG
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Crystal Structure of the Retinoid X Receptor Ligand Binding Domain Bound to the Synthetic Agonist 3-[4-Hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenyl]acrylic Acid
分子名称: (2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Bourguet, W.
登録日2009-01-14
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Modulating retinoid X receptor with a series of (E)-3-[4-hydroxy-3-(3-alkoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acids and their 4-alkoxy isomers.
J.Med.Chem., 52, 2009

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