4YWY
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![BU of 4ywy by Molmil](/molmil-images/mine/4ywy) | Crystal Structure of double mutant Y115E Y117E human Glutaminyl Cyclase in complex with inhibitor PBD-150 | Descriptor: | 1,2-ETHANEDIOL, 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, CHLORIDE ION, ... | Authors: | Di Pisa, F, Pozzi, C, Benvenuti, M, Mangani, S. | Deposit date: | 2015-03-21 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The soluble Y115E-Y117E variant of human glutaminyl cyclase is a valid target for X-ray and NMR screening of inhibitors against Alzheimer disease. Acta Crystallogr.,Sect.F, 71, 2015
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4YU9
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![BU of 4yu9 by Molmil](/molmil-images/mine/4yu9) | Crystal Structure of double mutant Y115E Y117E human Glutaminyl Cyclase | Descriptor: | 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ... | Authors: | Di Pisa, F, Pozzi, C, Benvenuti, M, Mangani, S. | Deposit date: | 2015-03-18 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The soluble Y115E-Y117E variant of human glutaminyl cyclase is a valid target for X-ray and NMR screening of inhibitors against Alzheimer disease. Acta Crystallogr.,Sect.F, 71, 2015
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8BD9
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![BU of 8bd9 by Molmil](/molmil-images/mine/8bd9) | Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 10 | Descriptor: | 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ... | Authors: | Tassone, G, Pozzi, C, Palomba, T. | Deposit date: | 2022-10-18 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design. Int J Mol Sci, 23, 2022
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8BDY
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![BU of 8bdy by Molmil](/molmil-images/mine/8bdy) | Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 9 | Descriptor: | 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ... | Authors: | Tassone, G, Pozzi, C, Palomba, T. | Deposit date: | 2022-10-20 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design. Int J Mol Sci, 23, 2022
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8BD8
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![BU of 8bd8 by Molmil](/molmil-images/mine/8bd8) | Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 8 | Descriptor: | 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ... | Authors: | Tassone, G, Pozzi, C, Palomba, T. | Deposit date: | 2022-10-18 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design. Int J Mol Sci, 23, 2022
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4DAS
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![BU of 4das by Molmil](/molmil-images/mine/4das) | Crystal structure of Bullfrog M ferritin | Descriptor: | 1,2-ETHANEDIOL, Ferritin, middle subunit, ... | Authors: | Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P. | Deposit date: | 2012-01-13 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structural insights into the ferroxidase site of ferritins from higher eukaryotes. J.Am.Chem.Soc., 134, 2012
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5L42
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![BU of 5l42 by Molmil](/molmil-images/mine/5l42) | Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 3 | Descriptor: | (2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2016-05-24 | Release date: | 2017-05-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity. Molecules, 22, 2017
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5L4N
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![BU of 5l4n by Molmil](/molmil-images/mine/5l4n) | Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 1 | Descriptor: | (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2016-05-26 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity. Molecules, 22, 2017
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5MXQ
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![BU of 5mxq by Molmil](/molmil-images/mine/5mxq) | Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-90 Inhibitor | Descriptor: | 3-(phenylsulfonylamino)pyridine-2-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ... | Authors: | Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S. | Deposit date: | 2017-01-24 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model. Acs Infect Dis., 5, 2019
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5MXR
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![BU of 5mxr by Molmil](/molmil-images/mine/5mxr) | Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-330 Inhibitor | Descriptor: | 5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ... | Authors: | Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S. | Deposit date: | 2017-01-24 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model. Acs Infect Dis., 5, 2019
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8AGI
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![BU of 8agi by Molmil](/molmil-images/mine/8agi) | Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with JMC31 | Descriptor: | 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S. | Deposit date: | 2022-07-20 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor. Int J Mol Sci, 23, 2022
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8AGL
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![BU of 8agl by Molmil](/molmil-images/mine/8agl) | Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with JMC31 | Descriptor: | 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S. | Deposit date: | 2022-07-20 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor. Int J Mol Sci, 23, 2022
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8AGJ
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![BU of 8agj by Molmil](/molmil-images/mine/8agj) | Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with JMC31 | Descriptor: | 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S. | Deposit date: | 2022-07-20 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor. Int J Mol Sci, 23, 2022
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7OPJ
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![BU of 7opj by Molmil](/molmil-images/mine/7opj) | Trypanosoma brucei PTR1 (TbPTR1) in complex with pyrimethamine | Descriptor: | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, ACETATE ION, GLYCEROL, ... | Authors: | Tassone, G, Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2021-05-31 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Evidence of Pyrimethamine and Cycloguanil Analogues as Dual Inhibitors of Trypanosoma brucei Pteridine Reductase and Dihydrofolate Reductase. Pharmaceuticals, 14, 2021
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7OVH
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![BU of 7ovh by Molmil](/molmil-images/mine/7ovh) | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 14 (JMV-6931) | Descriptor: | ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ... | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S. | Deposit date: | 2021-06-14 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity. Eur.J.Med.Chem., 226, 2021
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7OVE
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![BU of 7ove by Molmil](/molmil-images/mine/7ove) | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 10 (JMV-7210) | Descriptor: | ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ... | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Mangani, S, Docquier, J.D, Pozzi, C, Marcoccia, F. | Deposit date: | 2021-06-14 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity. Eur.J.Med.Chem., 226, 2021
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7OVF
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![BU of 7ovf by Molmil](/molmil-images/mine/7ovf) | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 8 (JMV-7207) | Descriptor: | 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S. | Deposit date: | 2021-06-14 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity. Eur.J.Med.Chem., 226, 2021
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7PP0
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![BU of 7pp0 by Molmil](/molmil-images/mine/7pp0) | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038) | Descriptor: | 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Chelini, G, De Luca, F, Docquier, J.D, Pozzi, C, Mangani, S. | Deposit date: | 2021-09-10 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | 1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors. Chemmedchem, 17, 2022
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4LQH
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![BU of 4lqh by Molmil](/molmil-images/mine/4lqh) | High resolution structure of native frog M ferritin | Descriptor: | CHLORIDE ION, Ferritin, middle subunit, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | Deposit date: | 2013-07-18 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites. Acta Crystallogr.,Sect.D, 71, 2015
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4LQV
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![BU of 4lqv by Molmil](/molmil-images/mine/4lqv) | Thrirty minutes iron loaded frog M ferritin | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | Deposit date: | 2013-07-19 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites. Acta Crystallogr.,Sect.D, 71, 2015
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4LYU
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![BU of 4lyu by Molmil](/molmil-images/mine/4lyu) | Fifteen minutes iron loaded frog M ferritin | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | Deposit date: | 2013-07-31 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites. Acta Crystallogr.,Sect.D, 71, 2015
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4LYX
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![BU of 4lyx by Molmil](/molmil-images/mine/4lyx) | five minutes iron loaded frog M ferritin | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | Deposit date: | 2013-07-31 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites. Acta Crystallogr.,Sect.D, 71, 2015
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4LPJ
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![BU of 4lpj by Molmil](/molmil-images/mine/4lpj) | One minute iron loaded frog M ferritin | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | Deposit date: | 2013-07-16 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites. Acta Crystallogr.,Sect.D, 71, 2015
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4LQJ
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![BU of 4lqj by Molmil](/molmil-images/mine/4lqj) | Two minutes iron loaded frog M ferritin | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | Deposit date: | 2013-07-18 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites. Acta Crystallogr.,Sect.D, 71, 2015
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3RGD
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![BU of 3rgd by Molmil](/molmil-images/mine/3rgd) | Iron loaded frog M ferritin. Short soaking time | Descriptor: | FE (III) ION, Ferritin, middle subunit | Authors: | Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Theil, E.C, Turano, P. | Deposit date: | 2011-04-08 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structural insights into the ferroxidase site of ferritins from higher eukaryotes. J.Am.Chem.Soc., 134, 2012
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