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6TR9
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BU of 6tr9 by Molmil
Crystal structure of human L ferritin (HuLf) triple variant E60A-E61A-E64A
分子名称: CADMIUM ION, Ferritin light chain
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-18
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6TSJ
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BU of 6tsj by Molmil
Crystal structure of human L ferritin (HuLf) Fe(III)-loaded for 15 minutes
分子名称: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-20
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6TRZ
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BU of 6trz by Molmil
Crystal structure of horse L ferritin (HoLf) Fe(III)-loaded for 15 minutes
分子名称: CADMIUM ION, CHLORIDE ION, FE (III) ION, ...
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-19
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6TSF
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BU of 6tsf by Molmil
Crystal structure of human L ferritin (HuLf) Fe(III)-loaded for 60 minutes
分子名称: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-20
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6TSA
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BU of 6tsa by Molmil
Crystal structure of human L ferritin (HuLf) Fe(III)-loaded for 30 minutes
分子名称: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-20
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
4WCF
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BU of 4wcf by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 9
分子名称: 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ACETATE ION, GLYCEROL, ...
著者Mangani, S, Di Pisa, F, Pozzi, C.
登録日2014-09-04
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
5JDC
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BU of 5jdc by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor NP-13 (Hesperetin)
分子名称: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ...
著者Mangani, S, Pozzi, C, Di Pisa, F, Landi, G, Dello Iacono, L.
登録日2016-04-16
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
5JCX
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BU of 5jcx by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor NP-29
分子名称: 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ...
著者Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S.
登録日2016-04-15
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
5JDI
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BU of 5jdi by Molmil
Trypanosoma brucei PTR1 in complex with cofactor and inhibitor NMT-H024 (compound 2)
分子名称: 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S.
登録日2016-04-16
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
8OF2
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BU of 8of2 by Molmil
Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tassone, G, Landi, G, Mangani, S, Pozzi, C.
登録日2023-03-13
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents.
Eur.J.Med.Chem., 264, 2023
6YRP
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BU of 6yrp by Molmil
Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31)
分子名称: 1,2-ETHANEDIOL, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ACETATE ION, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2020-04-20
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 208, 2020
6ZGM
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BU of 6zgm by Molmil
Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681
分子名称: 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Docquier, J.D, Pozzi, C, Marcoccia, F, De Luca, F, Benvenuti, M, Mangani, S.
登録日2020-06-19
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献ANT2681: SAR Studies Leading to the Identification of a Metallo-beta-lactamase Inhibitor with Potential for Clinical Use in Combination with Meropenem for the Treatment of Infections Caused by NDM-ProducingEnterobacteriaceae.
Acs Infect Dis., 6, 2020
4DAS
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BU of 4das by Molmil
Crystal structure of Bullfrog M ferritin
分子名称: 1,2-ETHANEDIOL, Ferritin, middle subunit, ...
著者Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P.
登録日2012-01-13
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
7O0K
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BU of 7o0k by Molmil
Crystal structure of recombinant chichen liver Bile Acid Binding Protein (cL-BABP) in complex with cholic acid
分子名称: CHOLIC ACID, Fatty acid-binding protein, liver
著者Tassone, G, Pozzi, C.
登録日2021-03-26
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Validation of Recombinant Chicken Liver Bile Acid Binding Protein as a Tool for Cholic Acid Hosting.
Biomolecules, 11, 2021
7O0J
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BU of 7o0j by Molmil
High resolution structure of recombinant chichen liver Bile Acid Binding Protein (cL-BABP)
分子名称: Fatty acid-binding protein, liver
著者Tassone, G, Pozzi, C.
登録日2021-03-26
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Validation of Recombinant Chicken Liver Bile Acid Binding Protein as a Tool for Cholic Acid Hosting.
Biomolecules, 11, 2021
4WCD
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BU of 4wcd by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 10
分子名称: 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ACETATE ION, GLYCEROL, ...
著者Mangani, S, Di Pisa, F, Pozzi, C.
登録日2014-09-04
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
5K6A
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BU of 5k6a by Molmil
Trypanosoma brucei Pteridine reductase 1 (PTR1) in complex with compound 1
分子名称: (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S.
登録日2016-05-24
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
5L42
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BU of 5l42 by Molmil
Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 3
分子名称: (2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S.
登録日2016-05-24
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
5L4N
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BU of 5l4n by Molmil
Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 1
分子名称: (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S.
登録日2016-05-26
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
5MXQ
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BU of 5mxq by Molmil
Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-90 Inhibitor
分子名称: 3-(phenylsulfonylamino)pyridine-2-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ...
著者Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S.
登録日2017-01-24
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
5MXR
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BU of 5mxr by Molmil
Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-330 Inhibitor
分子名称: 5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ...
著者Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S.
登録日2017-01-24
公開日2018-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
5JCJ
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BU of 5jcj by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor NMT-H037 (compound 7)
分子名称: 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S.
登録日2016-04-15
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
8BD8
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BU of 8bd8 by Molmil
Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 8
分子名称: 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ...
著者Tassone, G, Pozzi, C, Palomba, T.
登録日2022-10-18
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
8BD9
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Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 10
分子名称: 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ...
著者Tassone, G, Pozzi, C, Palomba, T.
登録日2022-10-18
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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
8BDY
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Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 9
分子名称: 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ...
著者Tassone, G, Pozzi, C, Palomba, T.
登録日2022-10-20
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献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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