8ADF
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![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
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8C0C
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![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
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8QIJ
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![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
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8QN5
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![BU of 8qn5 by Molmil](/molmil-images/mine/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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8QC4
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![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
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6ZA5
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![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
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6ZA6
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![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
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6ZA4
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![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
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2OCF
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![BU of 2ocf by Molmil](/molmil-images/mine/2ocf) | Human estrogen receptor alpha ligand-binding domain in complex with estradiol and the E2#23 FN3 monobody | Descriptor: | ESTRADIOL, Estrogen receptor, Fibronectin | Authors: | Rajan, S.S, Kuruvilla, S.M, Sharma, S.K, Kim, Y, Huang, J, Koide, A, Koide, S, Joachimiak, A, Greene, G.L. | Deposit date: | 2006-12-20 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Probing protein conformational changes in living cells by using designer binding proteins: application to the estrogen receptor. Proc.Natl.Acad.Sci.USA, 99, 2002
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8QE4
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![BU of 8qe4 by Molmil](/molmil-images/mine/8qe4) | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions | Descriptor: | DNA (5'-D(*CP*(FRG)P*CP*(FRG)P*CP*(FRG))-3') | Authors: | El-Khoury, R, Cabrero, C, Movilla, S, Friedland, D, Thorpe, J.D, Roman, M, Orozco, M, Gonzalez, C, Damha, M. | Deposit date: | 2023-08-30 | Release date: | 2024-06-26 | Method: | SOLUTION NMR | Cite: | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions. Nucleic Acids Res., 2024
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8QDU
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![BU of 8qdu by Molmil](/molmil-images/mine/8qdu) | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions | Descriptor: | DNA (5'-D(*(FC)P*GP*(FC)P*GP*(FC)P*G)-3') | Authors: | El-Khoury, R, Cabrero, C, Movilla, S, Thorpe, J.D, Roman, M, Orozco, M, Gonzalez, C, Damha, M.J. | Deposit date: | 2023-08-30 | Release date: | 2024-06-26 | Method: | SOLUTION NMR | Cite: | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions. Nucleic Acids Res., 2024
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8QOR
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![BU of 8qor by Molmil](/molmil-images/mine/8qor) | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions | Descriptor: | DNA (5'-D(*(CFL)P*(FRG)P*(CFL)P*(FRG)P*(CFL)P*(FRG))-3') | Authors: | El-Khoury, R, Cabrero, C, Movilla, S, Friedland, D, Thorpe, J.D, Roman, M, Orozco, M, Gonzalez, C, Damha, M. | Deposit date: | 2023-09-29 | Release date: | 2024-06-26 | Method: | SOLUTION NMR | Cite: | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions. Nucleic Acids Res., 2024
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