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PDB: 305 results

5Z5S
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Crystal structure of the PPARgamma-LBD complexed with compound 13ab
Descriptor: 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2018-01-19
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification.
Bioorg. Med. Chem., 26, 2018
5Z6S
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BU of 5z6s by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound DS-6930
Descriptor: 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2018-01-25
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of DS-6930, a potent selective PPAR gamma modulator. Part II: Lead optimization.
Bioorg. Med. Chem., 26, 2018
3PO9
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BU of 3po9 by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with tripropyltin
Descriptor: 1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane, Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL
Authors:le Maire, A, Bourguet, W.
Deposit date:2010-11-22
Release date:2011-11-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of PPARgamma ligand binding domain in complex with tripropyltin
To be Published
3R8A
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BU of 3r8a by Molmil
X-ray crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a compound with dual PPAR gamma agonism and Angiotensin II Type I receptor antagonism activity
Descriptor: 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine, Peroxisome proliferator-activated receptor gamma
Authors:Ohren, J.F.
Deposit date:2011-03-23
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of a Series of Imidazo[4,5-b]pyridines with Dual Activity at Angiotensin II Type 1 Receptor and Peroxisome Proliferator-Activated Receptor-gamma.
J.Med.Chem., 54, 2011
3R5N
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BU of 3r5n by Molmil
Crystal structure of PPARgammaLBD complexed with the agonist magnolol
Descriptor: 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol, Peroxisome proliferator-activated receptor gamma
Authors:Zhang, H, Chen, L, Chen, J, Hu, L, Jiang, H, Shen, X.
Deposit date:2011-03-18
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular determinants of magnolol targeting both RXR(alpha) and PPAR(gamma).
Plos One, 6, 2011
6IZN
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BU of 6izn by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound 3g
Descriptor: 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2018-12-20
Release date:2019-03-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Acs Med.Chem.Lett., 10, 2019
6JEY
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BU of 6jey by Molmil
Covalent bond formation between ynone moiety of synthetic fatty acid and hPPARg-LBD
Descriptor: (9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Yamamoto, K, Itoh, T.
Deposit date:2019-02-07
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Cell Chem Biol, 27, 2020
7EFQ
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BU of 7efq by Molmil
Crystal structure of hPPARgamma ligand binding domain complexed with rosiglitazone-based fluorescence probe
Descriptor: (5S)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Yoshikawa, C, Ishida, H, Ohashi, N, Itoh, T.
Deposit date:2021-03-23
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis of a Coumarin-Based PPAR gamma Fluorescence Probe for Competitive Binding Assay.
Int J Mol Sci, 22, 2021
5GTO
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BU of 5gto by Molmil
Human PPARgamma ligand binding dmain complexed with S35
Descriptor: 2-[4-[5-[(1~{S})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid, GLYCEROL, MYRISTIC ACID, ...
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 (2.1 Å)
Cite:Structural basis for differential activities of enantiomeric PPAR gamma agonists: Binding of S35 to the alternate site.
Biochim. Biophys. Acta, 1865, 2017
6IZM
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BU of 6izm by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound 1l
Descriptor: 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2018-12-20
Release date:2019-03-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Acs Med.Chem.Lett., 10, 2019
5F9B
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BU of 5f9b by Molmil
X-ray crystal structure of PPARgamma in the complex with caulophyllogenin
Descriptor: Caulophyllogenin, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2015-12-09
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Screening of saponins and sapogenins from Medicago species as potential PPAR gamma agonists and X-ray structure of the complex PPAR gamma /caulophyllogenin.
Sci Rep, 6, 2016
5GTP
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BU of 5gtp by Molmil
The agonist-free structure of human PPARgamma ligand binding domain in the presence of the SRC-1 coactivator peptide
Descriptor: GLYCEROL, MYRISTIC ACID, Nuclear receptor coactivator 1, ...
Authors:Jang, J.Y, Suh, S.W.
Deposit date:2016-08-23
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for differential activities of enantiomeric PPAR gamma agonists: Binding of S35 to the alternate site.
Biochim. Biophys. Acta, 1865, 2017
5DSH
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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
2OM9
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BU of 2om9 by Molmil
Ajulemic acid, a synthetic cannabinoid bound to PPAR gamma
Descriptor: (6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-TETRAHYDRO-6H-BENZO[C]CHROMENE-9-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Ambrosio, A.L.B, Garratt, R.C.
Deposit date:2007-01-21
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ajulemic Acid, a Synthetic Nonpsychoactive Cannabinoid Acid, Bound to the Ligand Binding Domain of the Human Peroxisome Proliferator-activated Receptor gamma
J.Biol.Chem., 282, 2007
7E2O
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BU of 7e2o by Molmil
X-ray Crystal structure of PPARgamma R288H mutant.
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Egawa, D, Itoh, T.
Deposit date:2021-02-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Insights into the Loss-of-Function R288H Mutant of Human PPAR gamma.
Biol.Pharm.Bull., 44, 2021
2POB
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BU of 2pob by Molmil
PPARgamma Ligand binding domain complexed with a farglitazar analogue gw4709
Descriptor: GLYCEROL, N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE, Peroxisome proliferator-activated receptor gamma
Authors:Nolte, R.T.
Deposit date:2007-04-26
Release date:2008-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cocrystal structure guided array synthesis of PPARgamma inverse agonists
BIOORG.MED.CHEM.LETT., 17, 2007
6JF0
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BU of 6jf0 by Molmil
Covalent labeling of hPPARg-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization
Descriptor: 7-methoxychromen-2-one, Peroxisome proliferator-activated receptor gamma, methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate
Authors:Kojima, H, Yamamoto, K, Itoh, T.
Deposit date:2019-02-07
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Cell Chem Biol, 27, 2020
6K0T
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BU of 6k0t by Molmil
Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-17
Descriptor: 3-[(1~{E})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{H}-1,2,4-oxadiazol-5-one, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
Authors:Suzuki, M, Yamamoto, K, Takahashi, Y, Saito, J.
Deposit date:2019-05-07
Release date:2019-10-30
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Development of a novel class of peroxisome proliferator-activated receptor (PPAR) gamma ligands as an anticancer agent with a unique binding mode based on a non-thiazolidinedione scaffold.
Bioorg.Med.Chem., 27, 2019
2P4Y
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BU of 2p4y by Molmil
Crystal structure of human PPAR-gamma-ligand binding domain complexed with an indole-based modulator
Descriptor: (2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1,2-BENZISOXAZOL-3-YL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL]METHYL}PHENOXY)PROPANOIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peroxisome proliferator-activated receptor gamma
Authors:McKeever, B.M.
Deposit date:2007-03-13
Release date:2008-01-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The differential interactions of peroxisome proliferator-activated receptor gamma ligands with Tyr473 is a physical basis for their unique biological activities.
Mol.Pharmacol., 73, 2008
2Q6S
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BU of 2q6s by Molmil
2.4 angstrom crystal structure of PPAR gamma complexed to BVT.13 without co-activator peptides
Descriptor: 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-01
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
7CXE
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BU of 7cxe by Molmil
The ligand-free structure of human PPARgamma LBD R280C mutant
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Jang, D.M, Han, B.W.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The ligand-free structure of human PPARgamma LBD
To Be Published
7CXG
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BU of 7cxg by Molmil
The ligand-free structure of human PPARgamma LBD Q286E mutant
Descriptor: GLYCEROL, Peroxisome proliferator-activated receptor gamma
Authors:Jang, D.M, Han, B.W.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The ligand-free structure of human PPARgamma LBD
To Be Published
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
3U9Q
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BU of 3u9q by Molmil
Ligand binding domain of PPARgamma complexed with Decanoic Acid and PGC-1a peptide
Descriptor: DECANOIC ACID, PGC-1a peptide, Peroxisome proliferator-activated receptor gamma
Authors:Malapaka, V.R, Xu, H.E.
Deposit date:2011-10-19
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.522 Å)
Cite:Identification and Mechanism of 10-Carbon Fatty Acid as Modulating Ligand of Peroxisome Proliferator-activated Receptors.
J.Biol.Chem., 287, 2012
2Q8S
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BU of 2q8s by Molmil
X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a PPAR gamma/alpha dual agonist
Descriptor: (2S)-3-{4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPYL]PHENYL}-2-(1H-PYRROL-1-YL)PROPANOIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Ohren, J.F.
Deposit date:2007-06-11
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Effects of modifications of the linker in a series of phenylpropanoic acid derivatives: Synthesis, evaluation as PPARalpha/gamma dual agonists, and X-ray crystallographic studies.
Bioorg.Med.Chem., 16, 2008

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