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
 | | 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
 | | 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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4MN9
 | | Fifteen minutes iron loaded frog M ferritin mutant H54Q | | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin, ... | | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | | Deposit date: | 2013-09-10 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.15 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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4MKU
 | | Frog M ferritin mutant H54Q | | Descriptor: | CHLORIDE ION, Ferritin, middle subunit, ... | | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | | Deposit date: | 2013-09-05 | | Release date: | 2014-09-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 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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4MY7
 | | frog M ferritin iron-loaded under anaerobic environment | | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | | Deposit date: | 2013-09-27 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.48 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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4ML5
 | | one minute iron loaded frog M ferritin mutant H54Q | | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | | Deposit date: | 2013-09-06 | | Release date: | 2014-09-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.22 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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4MJY
 | | Sixty minutes iron loaded frog M ferritin mutant H54Q | | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | | Deposit date: | 2013-09-04 | | Release date: | 2014-09-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 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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6I36
 | | SIXTY 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: | 2018-11-05 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.59 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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4UBP
 | | STRUCTURE OF BACILLUS PASTEURII UREASE INHIBITED WITH ACETOHYDROXAMIC ACID AT 1.55 A RESOLUTION | | Descriptor: | ACETOHYDROXAMIC ACID, NICKEL (II) ION, PROTEIN (UREASE (CHAIN A)), ... | | Authors: | Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S. | | Deposit date: | 1999-02-25 | | Release date: | 2000-03-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The complex of Bacillus pasteurii urease with acetohydroxamate anion from X-ray data at 1.55 A resolution.
J.Biol.Inorg.Chem., 5, 2000
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1IE7
 | | PHOSPHATE INHIBITED BACILLUS PASTEURII UREASE CRYSTAL STRUCTURE | | Descriptor: | NICKEL (II) ION, PHOSPHATE ION, UREASE ALPHA SUBUNIT, ... | | Authors: | Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S. | | Deposit date: | 2001-04-09 | | Release date: | 2001-04-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-based rationalization of urease inhibition by phosphate: novel insights into the enzyme mechanism.
J.Biol.Inorg.Chem., 6, 2001
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2UBP
 | | STRUCTURE OF NATIVE UREASE FROM BACILLUS PASTEURII | | Descriptor: | NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), PROTEIN (UREASE BETA SUBUNIT), ... | | Authors: | Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S. | | Deposit date: | 1998-11-04 | | Release date: | 1999-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels.
Structure Fold.Des., 7, 1999
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8OF2
 | | Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tassone, G, Landi, G, Mangani, S, Pozzi, C. | | Deposit date: | 2023-03-13 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents.
Eur.J.Med.Chem., 264, 2023
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6ZGM
 | | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681 | | Descriptor: | 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | Authors: | Docquier, J.D, Pozzi, C, Marcoccia, F, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2020-06-19 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 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
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5K6A
 | | Trypanosoma brucei Pteridine reductase 1 (PTR1) in complex with compound 1 | | Descriptor: | (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S. | | Deposit date: | 2016-05-24 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
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3UBP
 | | DIAMIDOPHOSPHATE INHIBITED BACILLUS PASTEURII UREASE | | Descriptor: | DIAMIDOPHOSPHATE, NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), ... | | Authors: | Benini, S, Rypniewski, W.R, Wilson, K.S, Miletti, S, Mangani, S, Ciurli, S. | | Deposit date: | 1998-12-16 | | Release date: | 1999-12-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels.
Structure Fold.Des., 7, 1999
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5JAC
 | | Sixty minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | | Deposit date: | 2016-04-12 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
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1AVN
 | | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR | | Descriptor: | AZIDE ION, CARBONIC ANHYDRASE II, HISTAMINE, ... | | Authors: | Briganti, F, Mangani, S, Orioli, P, Scozzafava, A, Vernaglione, G, Supuran, C.T. | | Deposit date: | 1997-09-17 | | Release date: | 1997-12-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes I and II with histamine.
Biochemistry, 36, 1997
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6YRP
 | | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31) | | Descriptor: | 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, ... | | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2020-04-20 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 208, 2020
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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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5T7O
 | | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | | Authors: | Di Pisa, F, Dello Iacono, L, Bonucci, A, Mangani, S. | | Deposit date: | 2016-09-05 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE
To Be Published
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6TSA
 | | Crystal structure of human L ferritin (HuLf) Fe(III)-loaded for 30 minutes | | Descriptor: | CADMIUM ION, FE (III) ION, Ferritin light chain, ... | | Authors: | Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S. | | Deposit date: | 2019-12-20 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
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6TSF
 | | Crystal structure of human L ferritin (HuLf) Fe(III)-loaded for 60 minutes | | Descriptor: | CADMIUM ION, FE (III) ION, Ferritin light chain, ... | | Authors: | Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S. | | Deposit date: | 2019-12-20 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
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5WCM
 | | Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement | | Descriptor: | 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION | | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S. | | Deposit date: | 2017-06-30 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides.
Antimicrob. Agents Chemother., 54, 2010
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1S3T
 | | BORATE INHIBITED BACILLUS PASTEURII UREASE CRYSTAL STRUCTURE | | Descriptor: | BORIC ACID, NICKEL (II) ION, SULFATE ION, ... | | Authors: | Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S. | | Deposit date: | 2004-01-14 | | Release date: | 2004-04-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular Details of Urease Inhibition by Boric Acid: Insights into the Catalytic Mechanism.
J.Am.Chem.Soc., 126, 2004
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