8C0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c0c by Molmil](/molmil-images/mine/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
|
|
8ADF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8adf by Molmil](/molmil-images/mine/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
|
|
6ZA4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6za4 by Molmil](/molmil-images/mine/6za4) | M. tuberculosis salicylate synthase MbtI in complex with 5-(3-cyanophenyl)furan-2-carboxylate | Descriptor: | 5-(3-cyanophenyl)furan-2-carboxylic acid, CHLORIDE ION, Salicylate synthase | Authors: | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | Deposit date: | 2020-06-04 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design. J.Med.Chem., 63, 2020
|
|
6ZA6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6za6 by Molmil](/molmil-images/mine/6za6) | M. tuberculosis salicylate synthase MbtI in complex with Ba2+ | Descriptor: | BARIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | Deposit date: | 2020-06-04 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design. J.Med.Chem., 63, 2020
|
|
6ZA5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6za5 by Molmil](/molmil-images/mine/6za5) | M. tuberculosis salicylate synthase MbtI in complex with salicylate and Mg2+ | Descriptor: | 2-HYDROXYBENZOIC ACID, ACETATE ION, MAGNESIUM ION, ... | Authors: | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | Deposit date: | 2020-06-04 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.109 Å) | Cite: | Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design. J.Med.Chem., 63, 2020
|
|
8QC4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qc4 by Molmil](/molmil-images/mine/8qc4) | M. tuberculosis salicylate synthase MbtI in complex with 5-(3-carboxyphenyl)furan-2-carboxylic acid | Descriptor: | 5-(3-carboxyphenyl)furan-2-carboxylic acid, GLYCEROL, SULFATE ION, ... | Authors: | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | Deposit date: | 2023-08-25 | Release date: | 2023-11-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.578 Å) | Cite: | Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery. Pharmaceuticals, 16, 2023
|
|
1J8Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1j8q by Molmil](/molmil-images/mine/1j8q) | Low Temperature (100K) Crystal Structure of Flavodoxin D. vulgaris Wild-type at 1.35 Angstrom Resolution | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Artali, R, Bombieri, G, Meneghetti, F, Gilardi, G, Sadeghi, S.J, Cavazzini, D, Rossi, G.L. | Deposit date: | 2001-05-22 | Release date: | 2001-09-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Comparison of the refined crystal structures of wild-type (1.34 A) flavodoxin from Desulfovibrio vulgaris and the S35C mutant (1.44 A) at 100 K. Acta Crystallogr.,Sect.D, 58, 2002
|
|
8QIJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qij by Molmil](/molmil-images/mine/8qij) | Crystallographic Structure of a Salicylate Synthase from M. abscessus (Mab-SaS) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Cassetta, A, Covaceuszach, S, Tomaiuolo, M, Meneghetti, F, Villa, S, Mori, M, Chiarelli, L.R, Mangiatordi, G.F. | Deposit date: | 2023-09-12 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.073 Å) | Cite: | Structural basis for specific inhibition of salicylate synthase from Mycobacterium abscessus. Eur.J.Med.Chem., 265, 2024
|
|
1J9E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1j9e by Molmil](/molmil-images/mine/1j9e) | Low Temperature (100K) Crystal Structure of Flavodoxin D. vulgaris S35C Mutant at 1.44 Angstrom Resolution | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Artali, R, Bombieri, G, Meneghetti, F, Gilardi, G, Sadeghi, S.J, Cavazzini, D, Rossi, G.L. | Deposit date: | 2001-05-25 | Release date: | 2001-09-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Comparison of the refined crystal structures of wild-type (1.34 A) flavodoxin from Desulfovibrio vulgaris and the S35C mutant (1.44 A) at 100 K. Acta Crystallogr.,Sect.D, 58, 2002
|
|
1J9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1j9g by Molmil](/molmil-images/mine/1j9g) | Low Temperature (100K) Crystal Structure of Flavodoxin D. vulgaris S64C Mutant, monomer oxidised, at 2.4 Angstrom Resolution | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin | Authors: | Artali, R, Bombieri, G, Meneghetti, F, Gilardi, G, Sadeghi, S.J, Cavazzini, D, Rossi, G.L. | Deposit date: | 2001-05-25 | Release date: | 2001-09-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Comparison of the refined crystal structures of wild-type (1.34 A) flavodoxin from Desulfovibrio vulgaris and the S35C mutant (1.44 A) at 100 K. Acta Crystallogr.,Sect.D, 58, 2002
|
|
1WSB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wsb by Molmil](/molmil-images/mine/1wsb) | Flavodoxin mutant- S64C | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Artali, R, Bombieri, G, Marchini, N, Meneghetti, F, Rossi, G.L, Cavazzini, D, Gilardi, G. | Deposit date: | 2004-11-05 | Release date: | 2004-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Redox properties and crystal structures of a Desulfovibrio vulgaris flavodoxin mutant in the monomeric and homodimeric forms. Biochim.Biophys.Acta, 1794, 2009
|
|
1WSW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wsw by Molmil](/molmil-images/mine/1wsw) | Low Temperature (100K) Crystal Structure Of Flavodoxin Mutant S64C, dimer, semiquinone state | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Artali, R, Marchini, N, Meneghetti, F, Cavazzini, D, Bombieri, G, Rossi, G.L, Gilardi, G. | Deposit date: | 2004-11-12 | Release date: | 2004-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Redox properties and crystal structures of a Desulfovibrio vulgaris flavodoxin mutant in the monomeric and homodimeric forms. Biochim.Biophys.Acta, 1794, 2009
|
|
1XYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xyy by Molmil](/molmil-images/mine/1xyy) | Low Temperature (100K) Crystal Structure Of Flavodoxin Mutant S64C, homodimer, oxidised state | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Artali, R, Marchini, N, Meneghetti, F, Cavazzini, D, Bombieri, G, Rossi, G.L, Gilardi, G. | Deposit date: | 2004-11-11 | Release date: | 2004-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Redox properties and crystal structures of a Desulfovibrio vulgaris flavodoxin mutant in the monomeric and homodimeric forms. Biochim.Biophys.Acta, 1794, 2009
|
|
1XYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xyv by Molmil](/molmil-images/mine/1xyv) | Low Temperature (100K) Crystal Structure Of Flavodoxin Mutant S64C, monomer, semiquinone state | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Artali, R, Marchini, N, Meneghetti, F, Cavazzini, D, Bombieri, G, Rossi, G.L, Gilardi, G. | Deposit date: | 2004-11-11 | Release date: | 2004-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Redox properties and crystal structures of a Desulfovibrio vulgaris flavodoxin mutant in the monomeric and homodimeric forms. Biochim.Biophys.Acta, 1794, 2009
|
|
1XT6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xt6 by Molmil](/molmil-images/mine/1xt6) | S35C Flavodoxin Mutant in the semiquinone state | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin | Authors: | Artali, R, Marchini, N, Meneghetti, F, Cavazzini, D, Cassetta, A, Sassone, C, Bombieri, G, Rossi, G.L, Gilardi, G. | Deposit date: | 2004-10-21 | Release date: | 2004-12-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of S35C flavodoxin mutant from Desulfovibrio vulgaris in the semiquinone state. Acta Crystallogr.,Sect.D, 61, 2005
|
|