Author results

1ZS0
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A PHOSPHONATE INHIBITOR (S-ENANTIOMER)
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Pochetti, G., Gavuzzo, E., Campestre, C., Agamennone, M., Tortorella, P., Consalvi, V., Gallina, C., Hiller, O., Tschesche, H., Tucker, P.A., Mazza, F.
Deposit date:2005-05-23
Release date:2006-05-02
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates.
J.Med.Chem., 49, 2006
1ZVX
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A PHOSPHONATE INHIBITOR (R-ENANTIOMER)
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Pochetti, G., Gavuzzo, E., Campestre, C., Agamennone, M., Tortorella, P., Consalvi, V., Gallina, C., Hiller, O., Tschesche, H., Tucker, P.A., Mazza, F.
Deposit date:2005-06-03
Release date:2006-05-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates.
J.Med.Chem., 49, 2006
6F2L
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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:Peroxisome proliferator-activated receptor gamma, (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid
Authors:Pochetti, G., Montanari, M.
Deposit date:2017-11-24
Release date:2018-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the complex of the nuclear receptor PPARgamma and the agonist LJ570: structure obtained from crystals of apo-protein soaked for 15 days
To Be Published
2I4J
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPARGAMMA AND THE AGONIST LT160 (UREIDOFIBRATE DERIVATIVE)
Descriptor:Peroxisome proliferator-activated receptor gamma, (2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID
Authors:Pochetti, G., Mazza, F.
Deposit date:2006-08-22
Release date:2007-04-17
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands
J.Biol.Chem., 282, 2007
2I4P
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPARGAMMA AND THE PARTIAL AGONIST LT127 (UREIDOFIBRATE DERIVATIVE). STRUCTURE OBTAINED FROM CRYSTALS OF THE APO-FORM SOAKED FOR 30 DAYS.
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID
Authors:Pochetti, G., Mazza, F.
Deposit date:2006-08-22
Release date:2007-04-17
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands.
J.Biol.Chem., 282, 2007
2I4Z
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPARGAMMA AND THE PARTIAL AGONIST LT127 (UREIDOFIBRATE DERIVATIVE). THIS STRUCTURE HAS BEEN OBTAINED FROM CRYSTALS SOAKED FOR 6 HOURS.
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID
Authors:Pochetti, G., Mazza, F.
Deposit date:2006-08-23
Release date:2007-04-17
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands
J.Biol.Chem., 282, 2007
3DNG
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A NON-ZINC CHELATING INHIBITOR
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Pochetti, G., Montanari, R., Mazza, F.
Deposit date:2008-07-02
Release date:2009-03-03
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
3DPE
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A NON-ZINC CHELATING INHIBITOR
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Pochetti, G., Montanari, R., Mazza, F.
Deposit date:2008-07-08
Release date:2009-03-03
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
3DPF
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A NON-ZINC CHELATING INHIBITOR
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Pochetti, G., Montanari, R., Mazza, F.
Deposit date:2008-07-08
Release date:2009-03-03
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
4JL4
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPARGAMMA LBD AND THE LIGAND LJ570 [(2S)-3-(BIPHENYL-4-YL)-2-(BIPHENYL-4-YLOXY)PROPANOIC ACID]
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid
Authors:Pochetti, G., Montanari, R., Capelli, D.
Deposit date:2013-03-12
Release date:2014-03-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the complex between PPARgamma LBD and the dual agonist LJ570
To be Published
4QKZ
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X-RAY STRUCTURE OF THE CATALYTIC DOMAIN OF MMP-8 WITH THE INHIBITOR ML115
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Pochetti, G., Montanari, R., Capelli, D., Tortorella, P.
Deposit date:2014-06-10
Release date:2015-06-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:X-ray structure of the complex of the catalytic domain of MMP-8 and a bis-phosphonate inhibitor (ML115)
To be Published
3R8I
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CRYSTAL STRUCTURE OF PPARGAMMA WITH AN ACHIRAL UREIDOFIBRATE DERIVATIVE (RT86)
Descriptor:Peroxisome proliferator-activated receptor gamma, 2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid
Authors:Pochetti, G., Montanari, R., Loiodice, F., Laghezza, A., Fracchiolla, G., Lavecchia, A., Novellino, E., Crestani, M.
Deposit date:2011-03-24
Release date:2012-01-11
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis, characterization and biological evaluation of ureidofibrate-like derivatives endowed with peroxisome proliferator-activated receptor activity.
J.Med.Chem., 55, 2012
3HO0
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CRYSTAL STRUCTURE OF THE PPARGAMMA-LBD COMPLEXED WITH A NEW ARYLOXY-3PHENYLPROPANOIC ACID
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid
Authors:Pochetti, G., Montanari, R., Mazza, F., Loiodice, F., Fracchiolla, G., Laghezza, A., Lavecchia, A., Novellino, E.
Deposit date:2009-06-01
Release date:2009-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
3HOD
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CRYSTAL STRUCTURE OF THE PPARGAMMA-LBD COMPLEXED WITH A NEW ARYLOXY-3PHENYLPROPANOIC ACID
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
Authors:Pochetti, G., Montanari, R., Mazza, F., Loiodice, F., Fracchiolla, G., Laghezza, A., Lavecchia, A., Novellino, E.
Deposit date:2009-06-02
Release date:2009-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
4E4K
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CRYSTAL STRUCTURE OF PPARGAMMA WITH THE LIGAND JO21
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid
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
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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CRYSTAL STRUCTURE OF PPARGAMMA WITH THE LIGAND FS214
Descriptor:Peroxisome proliferator-activated receptor gamma, (2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid
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
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
3D6D
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPARGAMMA LBD AND THE LT175(R-ENANTIOMER)
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
Authors:Pochetti, G., Montanari, R.
Deposit date:2008-05-19
Release date:2008-12-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
4L96
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STRUCTURE OF THE COMPLEX BETWEEN THE F360L PPARGAMMA MUTANT AND THE LIGAND LT175 (SPACE GROUP I222)
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
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:2019-07-17
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
4L98
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CRYSTAL STRUCTURE OF THE COMPLEX OF F360L PPARGAMMA MUTANT WITH THE LIGAND LT175
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
Authors:Pochetti, G., Montanari, R., Consalvi, V., Chiaraluce, R., Pasquo, A., Capelli, C., Loiodice, F., Laghezza, A., Lori, C.
Deposit date:2013-06-18
Release date:2014-06-25
Last modified:2019-07-17
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
4O8F
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPARGAMMA MUTANT R357A AND ROSIGLITAZONE
Descriptor:Peroxisome proliferator-activated receptor gamma, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
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:2019-07-17
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
3B3K
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPARGAMMA AND THE FULL AGONIST LT175
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
Authors:Pochetti, G., Montanari, R., Mazza, F., Loiodice, F., Fracchiolla, G., Crestani, M., Godio, C.
Deposit date:2007-10-22
Release date:2008-10-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
3CDP
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CRYSTAL STRUCTURE OF PPAR-GAMMA LBD COMPLEXED WITH A PARTIAL AGONIST, ANALOGUE OF CLOFIBRIC ACID
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
Authors:Pochetti, G., Montanari, R., Mazza, F.
Deposit date:2008-02-27
Release date:2009-01-13
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors alpha/gamma dual agonists
Bioorg.Med.Chem., 20, 2012
5LSG
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PPARGAMMA COMPLEX WITH THE BETULINIC ACID
Descriptor:Peroxisome proliferator-activated receptor gamma, Betulinic Acid
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
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
3CDS
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN PPAR-GAMMA AND THE AGONIST LT248 (CLOFIBRIC ACID ANALOGUE)
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
Authors:Pochetti, G., Montanari, R., Mazza, F.
Deposit date:2008-02-27
Release date:2008-12-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
4JAZ
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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:2014-06-04
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Resveratrol and Its Metabolites Bind to PPARs.
Chembiochem, 15, 2014
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