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8ADF
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BU of 8adf by Molmil
X-ray crystal structure of PPAR gamma ligand binding domain in complex with CZ39
Descriptor: (2R)-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2H-furan-5-one, Peroxisome proliferator-activated receptor gamma
Authors:Capelli, D, Montanari, R, Pochetti, G, Meneghetti, F, Villa, S.
Deposit date:2022-07-08
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Biological Screening and Crystallographic Studies of Hydroxy gamma-Lactone Derivatives to Investigate PPAR gamma Phosphorylation Inhibition.
Biomolecules, 13, 2023
8C0C
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BU of 8c0c by Molmil
X-ray crystal structure of PPAR gamma ligand binding domain in complex with CZ46
Descriptor: (2~{R})-2-[4-(naphthalen-1-ylmethoxy)phenyl]-4-oxidanyl-3-phenyl-2~{H}-furan-5-one, Peroxisome proliferator-activated receptor gamma
Authors:Capelli, D, Montanari, R, Pochetti, G, Villa, S, Meneghetti, F.
Deposit date:2022-12-16
Release date:2023-04-26
Last modified:2023-05-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biological Screening and Crystallographic Studies of Hydroxy gamma-Lactone Derivatives to Investigate PPAR gamma Phosphorylation Inhibition.
Biomolecules, 13, 2023
7ZRB
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BU of 7zrb by Molmil
Crystal structure of Beta-catenin Armadillo repeats domain in complex with the inhibitor RS6452
Descriptor: 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide, Catenin beta-1
Authors:Capelli, D, Pochetti, G, Montanari, R.
Deposit date:2022-05-04
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.434 Å)
Cite:Novel N -(Heterocyclylphenyl)benzensulfonamide Sharing an Unreported Binding Site with T-Cell Factor 4 at the beta-Catenin Armadillo Repeats Domain as an Anticancer Agent.
Acs Pharmacol Transl Sci, 6, 2023
5HZC
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BU of 5hzc by Molmil
Crystal structure of the complex PPARgamma/AL26-29
Descriptor: 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A.
Deposit date:2016-02-02
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.
Sci Rep, 6, 2016
5HYK
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BU of 5hyk by Molmil
Crystal structure of the complex PPARalpha/AL26-29
Descriptor: 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A.
Deposit date:2016-02-01
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.
Sci Rep, 6, 2016
4PVU
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BU of 4pvu by Molmil
Crystal structure of the complex between PPARgamma-LBD and the R enantiomer of Mbx-102 (Metaglidasen)
Descriptor: (2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Piemontese, L, Lavecchia, A.
Deposit date:2014-03-18
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles.
Chemmedchem, 10, 2015
6QJ5
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BU of 6qj5 by Molmil
X-ray structure of PPARgamma LBD with the ligand NV1380
Descriptor: (2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2019-01-22
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities.
J.Med.Chem., 63, 2020
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
6T9C
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BU of 6t9c by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1346 (3a)
Descriptor: 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2019-10-27
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into PPAR gamma Phosphorylation and Its Inhibition Mechanism.
J.Med.Chem., 63, 2020
6ZLY
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BU of 6zly by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1362 (7a)
Descriptor: (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2020-07-01
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities.
J.Med.Chem., 63, 2020
4QKZ
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BU of 4qkz by Molmil
X-ray structure of the catalytic domain of MMP-8 with the inhibitor ML115
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Neutrophil collagenase, ...
Authors:Pochetti, G, Montanari, R, Capelli, D, Tortorella, P.
Deposit date:2014-06-10
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Bone-Seeking Matrix Metalloproteinase Inhibitors for the Treatment of Skeletal Malignancy.
Pharmaceuticals, 13, 2020
7AUX
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BU of 7aux by Molmil
Crystal structure of OXA-48 beta-lactamase in the complex with the inhbitor ID2
Descriptor: 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid, Beta-lactamase, CHLORIDE ION
Authors:Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R.
Deposit date:2020-11-03
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening.
Pharmaceuticals, 14, 2021
7AW5
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BU of 7aw5 by Molmil
Crystal structure of OXA-48 beta-lactamase in the complex with the inhibitor ID3
Descriptor: 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, Beta-lactamase, CHLORIDE ION
Authors:Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R.
Deposit date:2020-11-06
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening.
Pharmaceuticals, 14, 2021
5H8X
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BU of 5h8x by Molmil
Crystal structure of the complex MMP-8/BF471 (catechol inhibitor)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Neutrophil collagenase, ...
Authors:Pochetti, G, Montanari, R, Capelli, D, Tortorella, P.
Deposit date:2015-12-24
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Catechol-based matrix metalloproteinase inhibitors with additional antioxidative activity.
J Enzyme Inhib Med Chem, 31, 2016
5LSG
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BU of 5lsg by Molmil
PPARgamma complex with the betulinic acid
Descriptor: Betulinic Acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Calleri, E, Paiardini, A.
Deposit date:2016-08-26
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Betulinic acid is a PPAR gamma antagonist that improves glucose uptake, promotes osteogenesis and inhibits adipogenesis.
Sci Rep, 7, 2017
4JAZ
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BU of 4jaz by Molmil
Crystal structure of the complex between PPARgamma LBD and trans-resveratrol
Descriptor: Peroxisome proliferator-activated receptor gamma, RESVERATROL
Authors:Pochetti, G, Capelli, D, Montanari, R, Calleri, E, Moaddel, R, Temporini, C.
Deposit date:2013-02-19
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Resveratrol and Its Metabolites Bind to PPARs.
Chembiochem, 15, 2014
4JL4
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BU of 4jl4 by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand LJ570 [(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid]
Descriptor: (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2013-03-12
Release date:2014-03-12
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of the First PPAR alpha / gamma Dual Agonist Able To Bind to Canonical and Alternative Sites of PPAR gamma and To Inhibit Its Cdk5-Mediated Phosphorylation.
J.Med.Chem., 61, 2018
4PWL
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BU of 4pwl by Molmil
Crystal structure of the complex between PPARgamma-LBD and the S enantiomer of Mbx-102 (Metaglidasen)
Descriptor: (2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A, Piemontese, L.
Deposit date:2014-03-20
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles.
Chemmedchem, 10, 2015
4L98
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BU of 4l98 by Molmil
Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Consalvi, V, Chiaraluce, R, Pasquo, A, Capelli, D, Loiodice, F, Laghezza, A, Lori, C.
Deposit date:2013-06-18
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy.
Acta Crystallogr.,Sect.D, 70, 2014
4L96
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BU of 4l96 by Molmil
Structure of the complex between the F360L PPARgamma mutant and the ligand LT175 (space group I222)
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D, Chiaraluce, R, Consalvi, V, Pasquo, A, Lori, C, Laghezza, A, Loiodice, F.
Deposit date:2013-06-18
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy.
Acta Crystallogr.,Sect.D, 70, 2014
4O8F
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BU of 4o8f by Molmil
Crystal Structure of the complex between PPARgamma mutant R357A and rosiglitazone
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D, Chiaraluce, R, Consalvi, V, Lori, C, Loiodice, F, Laghezza, A, Pasquo, A, Cervoni, L, Aschi, M.
Deposit date:2013-12-27
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy.
Acta Crystallogr.,Sect.D, 70, 2014
6F2L
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BU of 6f2l by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand LJ570: structure obtained from crystals of the apo-form soaked for 15 days.
Descriptor: (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, M.
Deposit date:2017-11-24
Release date:2018-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of the First PPAR alpha / gamma Dual Agonist Able To Bind to Canonical and Alternative Sites of PPAR gamma and To Inhibit Its Cdk5-Mediated Phosphorylation.
J.Med.Chem., 61, 2018
4E4K
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BU of 4e4k by Molmil
Crystal Structure of PPARgamma with the ligand JO21
Descriptor: (2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
Deposit date:2012-03-13
Release date:2013-01-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
4E4Q
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BU of 4e4q by Molmil
Crystal structure of PPARgamma with the ligand FS214
Descriptor: (2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
Deposit date:2012-03-13
Release date:2013-01-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013

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