8C0C
 
 | | 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: | 2024-06-19 | | 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
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7ZRB
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8REJ
 | | Crystal structure of PPAR gamma Ligand Binding Domain in complex with the ligand LBB78 | | Descriptor: | (2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Capelli, D, Montanari, R. | | Deposit date: | 2023-12-11 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | A chemical modification of a peroxisome proliferator-activated receptor pan agonist produced a shift to a new dual alpha/gamma partial agonist endowed with mitochondrial pyruvate carrier inhibition and antidiabetic properties.
Eur.J.Med.Chem., 275, 2024
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8RCE
 | | Crystal structure of PPAR alfa Ligand Binding Domain in complex with the ligand LBB78 | | Descriptor: | (2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid, Peroxisome proliferator-activated receptor alpha | | Authors: | Capelli, D, Montanari, R. | | Deposit date: | 2023-12-06 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A chemical modification of a peroxisome proliferator-activated receptor pan agonist produced a shift to a new dual alpha/gamma partial agonist endowed with mitochondrial pyruvate carrier inhibition and antidiabetic properties.
Eur.J.Med.Chem., 275, 2024
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8ADF
 | | 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
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6QJ5
 | | 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
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5F9B
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5LSG
 | | 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
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6T9C
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6ZLY
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7AUX
 | | 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
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7AW5
 | | 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
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5H8X
 | | 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
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5HZC
 | | 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
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5HYK
 | | 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
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4PWL
 | | 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
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4PVU
 | | 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
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4O8F
 | | 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
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4QKZ
 | | 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
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4JAZ
 | | 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
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4JL4
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4L98
 | | 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
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4L96
 | | 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
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