1KT5
 
 | | Crystal structure of bovine holo-RBP at pH 4.0 | | Descriptor: | Plasma retinol-binding protein, RETINOL | | Authors: | Calderone, V, Berni, R, Zanotti, G. | | Deposit date: | 2002-01-15 | | Release date: | 2003-06-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | High-resolution Structures of Retinol-binding Protein in
Complex with Retinol: pH-induced Protein Structural
Changes in the Crystal State
J.Mol.Biol., 329, 2003
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3F1A
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3F18
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1KT4
 | | Crystal structure of bovine holo-RBP at pH 3.0 | | Descriptor: | RETINOL, plasma retinol-binding protein | | Authors: | Calderone, V, Berni, R, Zanotti, G. | | Deposit date: | 2002-01-15 | | Release date: | 2003-06-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.461 Å) | | Cite: | High-resolution Structures of Retinol-binding Protein in
Complex with Retinol: pH-induced Protein Structural
Changes in the Crystal State
J.Mol.Biol., 329, 2003
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3EHX
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1N8N
 | | Crystal structure of the Au3+ complex of AphA class B acid phosphatase/phosphotransferase from E. coli at 1.69 A resolution | | Descriptor: | Class B acid phosphatase, GOLD 3+ ION | | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. | | Deposit date: | 2002-11-21 | | Release date: | 2004-02-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold.
J.Mol.Biol., 335, 2004
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1N9K
 | | Crystal structure of the bromide adduct of AphA class B acid phosphatase/phosphotransferase from E. coli at 2.2 A resolution | | Descriptor: | BROMIDE ION, Class B acid phosphatase, MAGNESIUM ION | | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. | | Deposit date: | 2002-11-25 | | Release date: | 2004-02-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold.
J.Mol.Biol., 335, 2004
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3HBR
 | | Crystal structure of OXA-48 beta-lactamase | | Descriptor: | 1,2-ETHANEDIOL, OXA-48 | | Authors: | Calderone, V, Mangani, S, Benvenuti, M, Rossolini, G.M, Docquier, J.D. | | Deposit date: | 2009-05-05 | | Release date: | 2009-06-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases.
Chem.Biol., 16, 2009
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3ECW
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3ECV
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3ECU
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2GMN
 | | Crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum | | Descriptor: | Metallo-beta-lactamase, ZINC ION | | Authors: | Calderone, V, Benvenuti, M, Stoczko, M, Docquier, J.D, Rossolini, G.M, Mangani, S. | | Deposit date: | 2006-04-07 | | Release date: | 2007-04-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Postgenomic scan of metallo-beta-lactamase homologues in rhizobacteria: identification and characterization of BJP-1, a subclass B3 ortholog from Bradyrhizobium japonicum.
Antimicrob.Agents Chemother., 50, 2006
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7QZP
 | | Identification and characterization of an RRM-containing, ELAV-like, RNA binding protein in Acinetobacter Baumannii | | Descriptor: | Hypothetical RNA binding protein from Acinetobacter baumannii | | Authors: | Ciani, C, Perez-Rafols, A, Bonomo, I, Micaelli, M, Esposito, A, Zucal, C, Belli, R, D'Agostino, V.G, Bianconi, I, Calderone, V, Cerofolini, L, Fragai, M, Provenzani, A. | | Deposit date: | 2022-01-31 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification and Characterization of an RRM-Containing, RNA Binding Protein in Acinetobacter baumannii .
Biomolecules, 12, 2022
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6EOK
 | | Crystal structure of E. coli L-asparaginase II | | Descriptor: | L-asparaginase 2, ZINC ION | | Authors: | Cerofolini, L, Giuntini, S, Carlon, A, Ravera, E, Calderone, V, Fragai, M, Parigi, G, Luchinat, C. | | Deposit date: | 2017-10-09 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Characterization of PEGylated Asparaginase: New Opportunities from NMR Analysis of Large PEGylated Therapeutics.
Chemistry, 25, 2019
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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: | 2024-10-30 | | 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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4IJO
 | | Unraveling hidden allosteric regulatory sites in structurally homologues metalloproteases | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, ZINC ION | | Authors: | Udi, Y, Fragai, M, Grossman, M, Mitternacht, S, Arad-Yellin, R, Calderone, V, Melikian, M, Toccafondi, M, Berezovsky, I.N, Luchinat, C, Sagi, I. | | Deposit date: | 2012-12-22 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unraveling hidden regulatory sites in structurally homologous metalloproteases
J.Mol.Biol., 425, 2013
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3BA0
 | | Crystal structure of full-length human MMP-12 | | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | | Authors: | Bertini, I, Calderone, V, Fragai, M, Jaiswal, R, Luchinat, C, Melikian, M, Myonas, E, Svergun, D.I. | | Deposit date: | 2007-11-07 | | Release date: | 2008-07-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12.
J.Am.Chem.Soc., 130, 2008
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8B0T
 | | SARS-CoV-2 Main Protease adduct with Au(PEt3)Br | | Descriptor: | 3C-like proteinase nsp5, GOLD ION | | Authors: | Massai, L, Grifagni, D, De Santis, A, Geri, A, Calderone, V, Cantini, F, Banci, L, Messori, L. | | Deposit date: | 2022-09-08 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs.
Biomolecules, 12, 2022
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8B0S
 | | SARS-COV-2 Main Protease adduct with Au(NHC)Cl | | Descriptor: | 3C-like proteinase nsp5, GOLD ION | | Authors: | Massai, L, Grifagni, D, Desantis, A, Geri, A, Calderone, V, Cantini, F, Messori, L, Banci, L. | | Deposit date: | 2022-09-08 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs.
Biomolecules, 12, 2022
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8AWW
 | | Transthyretin conjugated with a tafamidis derivative | | Descriptor: | Transthyretin, ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide | | Authors: | Cerofolini, L, Vasa, K, Bianconi, E, Salobehaj, M, Cappelli, G, Licciardi, G, Perez-Rafols, A, Padilla Cortes, L.D, Antonacci, S, Rizzo, D, Ravera, E, Calderone, V, Parigi, G, Luchinat, C, Macchiarulo, A, Menichetti, S, Fragai, M. | | Deposit date: | 2022-08-30 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates.
Angew.Chem.Int.Ed.Engl., 62, 2023
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6Y91
 | | Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with NADH | | Descriptor: | Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M. | | Deposit date: | 2020-03-06 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity.
Commun Biol, 4, 2021
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4JA1
 | | Structure of MMP3 complexed with a platinum-based inhibitor | | Descriptor: | CALCIUM ION, CHLORIDE ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | | Authors: | Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D. | | Deposit date: | 2013-02-18 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure of matrix metalloproteinase-3 with a platinum-based inhibitor.
Chem.Commun.(Camb.), 49, 2013
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3U2M
 | | Crystal structure of human ALR mutant C142/145S | | Descriptor: | FAD-linked sulfhydryl oxidase ALR, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Banci, L, Bertini, I, Calderone, V, Cefaro, C, Ciofi-Baffoni, S, Gallo, A. | | Deposit date: | 2011-10-04 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An electron-transfer path through an extended disulfide relay system: the case of the redox protein ALR.
J.Am.Chem.Soc., 134, 2012
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3U2L
 | | Crystal structure of human ALR mutant C142S. | | Descriptor: | FAD-linked sulfhydryl oxidase ALR, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Banci, L, Bertini, I, Calderone, V, Cefaro, C, Ciofi-Baffoni, S, Gallo, A. | | Deposit date: | 2011-10-04 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | An electron-transfer path through an extended disulfide relay system: the case of the redox protein ALR.
J.Am.Chem.Soc., 134, 2012
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8B29
 | | Human carbonic anhydrase II containing 6-fluorotryptophanes. | | Descriptor: | Carbonic anhydrase 2, ZINC ION | | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | | Deposit date: | 2022-09-13 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Direct Expression of Fluorinated Proteins in Human Cells for 19 F In-Cell NMR Spectroscopy.
J.Am.Chem.Soc., 145, 2023
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