8QN5
| M. tuberculosis salicylate synthase MbtI in complex with methyl-AMT (new crystal form) | Descriptor: | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, AMMONIUM ION, CITRATE ANION, ... | Authors: | Mori, M, Villa, S, Meneghetti, M, Bellinzoni, M. | Deposit date: | 2023-09-25 | Release date: | 2023-11-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.544 Å) | Cite: | Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery. Pharmaceuticals, 16, 2023
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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
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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
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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
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2K4W
| The Solution Structure of the Monomeric Copper, Zinc Superoxide Dismutase from Salmonella enterica | Descriptor: | COPPER (I) ION, Superoxide dismutase [Cu-Zn], ZINC ION | Authors: | Mori, M, Jimenez, B, Piccioli, M, Battistoni, A, Sette, M, Structural Proteomics in Europe (SPINE) | Deposit date: | 2008-06-20 | Release date: | 2008-11-18 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | The Solution Structure of the Monomeric Copper, Zinc Superoxide Dismutase from Salmonella enterica: Structural Insights To Understand the Evolution toward the Dimeric Structure. Biochemistry, 47, 2008
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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
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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
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4GUY
| Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide, ... | Authors: | Calderone, V, Fragai, M, Luchinat, C, Massaro, A, Mordini, A, Mori, M. | Deposit date: | 2012-08-30 | Release date: | 2012-09-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors. To be Published
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7EAU
| SIB1, an effector of Colletotrichum orbiculare | Descriptor: | SIN1 | Authors: | Mori, M, Ohki, S, Kurita, J. | Deposit date: | 2021-03-08 | Release date: | 2021-11-03 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Fungal effector SIB1 of Colletotrichum orbiculare has unique structural features and can suppress plant immunity in Nicotiana benthamiana. J.Biol.Chem., 297, 2021
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3RTT
| Human MMP-12 catalytic domain in complex with*(R)-N*-Hydroxy-1-(phenethylsulfonyl)pyrrolidine-2-carboxamide | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-1-[(2-phenylethyl)sulfonyl]-D-prolinamide, ... | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mori, M, Nativi, C. | Deposit date: | 2011-05-04 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Contribution of ligand free energy of solvation to design new potent MMPs inhibitors. J.Med.Chem., 2012
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3RTS
| Human MMP-12 catalytic domain in complex with*N*-Hydroxy-2-(2-phenylethylsulfonamido)acetamide | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-[(2-phenylethyl)sulfonyl]glycinamide, ... | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mori, M, Nativi, C. | Deposit date: | 2011-05-04 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Contribution of ligand free energy of solvation to design new potent MMPs inhibitors. J.Med.Chem., 2012
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1J2F
| X-ray crystal structure of IRF-3 and its functional implications | Descriptor: | Interferon regulatory factor 3 | Authors: | Takahasi, K, Noda, N, Horiuchi, M, Mori, M, Okabe, Y, Fukuhara, Y, Terasawa, H, Fujita, T, Inagaki, F. | Deposit date: | 2003-01-04 | Release date: | 2003-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray crystal structure of IRF-3 and its functional implications. Nat.Struct.Biol., 10, 2003
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2RU1
| Solution structure of esf3 | Descriptor: | Uncharacterized protein | Authors: | Umetsu, Y, Mori, M, Ohki, S. | Deposit date: | 2013-11-06 | Release date: | 2014-04-23 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Central cell-derived peptides regulate early embryo patterning in flowering plants Science, 344, 2014
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2LLH
| NMR structure of Npm1_c70 | Descriptor: | Nucleophosmin | Authors: | Banci, L, Bertini, I, Brunori, M, Di Matteo, A, Federici, L, Gallo, A, Lo Sterzo, C, Mori, M. | Deposit date: | 2011-11-09 | Release date: | 2012-06-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure of Nucleophosmin DNA-binding Domain and Analysis of Its Complex with a G-quadruplex Sequence from the c-MYC Promoter. J.Biol.Chem., 287, 2012
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2L4D
| cytochrome c domain of pp3183 protein from Pseudomonas putida | Descriptor: | HEME C, SCO1/SenC family protein/cytochrome c | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Kozyreva, T, Mori, M, Wang, S. | Deposit date: | 2010-10-04 | Release date: | 2011-01-26 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Sco proteins are involved in electron transfer processes J.Biol.Inorg.Chem., 16, 2011
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3WPU
| Full-length beta-fructofuranosidase from Microbacterium saccharophilum K-1 | Descriptor: | Beta-fructofuranosidase, GLYCEROL | Authors: | Yokoi, G, Mori, M, Sato, S, Miyazaki, T, Nishikawa, A, Tonozuka, T. | Deposit date: | 2014-01-17 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Enhancing thermostability and the structural characterization of Microbacterium saccharophilum K-1 beta-fructofuranosidase Appl.Microbiol.Biotechnol., 98, 2014
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3WPV
| Microbacterium saccharophilum K-1 beta-fructofuranosidase mutant T47S/F447V/F470Y/P500S | Descriptor: | Beta-fructofuranosidase, GLYCEROL | Authors: | Yokoi, G, Mori, M, Sato, S, Miyazaki, T, Nishikawa, A, Tonozuka, T. | Deposit date: | 2014-01-17 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Enhancing thermostability and the structural characterization of Microbacterium saccharophilum K-1 beta-fructofuranosidase Appl.Microbiol.Biotechnol., 98, 2014
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3WPY
| Microbacterium saccharophilum K-1 beta-fructofuranosidase mutant T47S/S200T/F447V/P500S | Descriptor: | Beta-fructofuranosidase | Authors: | Yokoi, G, Mori, M, Sato, S, Miyazaki, T, Nishikawa, A, Tonozuka, T. | Deposit date: | 2014-01-17 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enhancing thermostability and the structural characterization of Microbacterium saccharophilum K-1 beta-fructofuranosidase Appl.Microbiol.Biotechnol., 98, 2014
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3WPZ
| Microbacterium saccharophilum K-1 beta-fructofuranosidase mutant T47S/S200T/F447P/F470Y/P500S | Descriptor: | Beta-fructofuranosidase | Authors: | Yokoi, G, Mori, M, Sato, S, Miyazaki, T, Nishikawa, A, Tonozuka, T. | Deposit date: | 2014-01-17 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Enhancing thermostability and the structural characterization of Microbacterium saccharophilum K-1 beta-fructofuranosidase Appl.Microbiol.Biotechnol., 98, 2014
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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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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: | 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
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6TLG
| Ligand-free state of human 14-3-3 sigma isoform | Descriptor: | 14-3-3 protein sigma, DI(HYDROXYETHYL)ETHER, SULFATE ION | Authors: | Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2019-12-02 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction. Acs Chem.Biol., 15, 2020
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6TLF
| human 14-3-3 sigma isoform in complex with IMP | Descriptor: | 14-3-3 protein sigma, INOSINIC ACID, SULFATE ION | Authors: | Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2019-12-02 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction. Acs Chem.Biol., 15, 2020
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6TM7
| Human 14-3-3 sigma isoform in complex with PLP | Descriptor: | 14-3-3 protein sigma, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2019-12-03 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction. Acs Chem.Biol., 15, 2020
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4F9M
| Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | Descriptor: | (9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peroxisome proliferator-activated receptor gamma, peptide from Nuclear receptor coactivator 1 | Authors: | Matsui, Y, Hanzawa, H. | Deposit date: | 2012-05-19 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and biological evaluation of novel (-)-cercosporamide derivatives as potent selective PPARg modulators Eur.J.Med.Chem., 54, 2012
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