2G1A
| Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase | Descriptor: | Class B acid phosphatase, MAGNESIUM ION, {[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID | Authors: | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | Deposit date: | 2006-02-14 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase To be published
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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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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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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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2L51
| Solution structure of calcium bound S100A16 | Descriptor: | CALCIUM ION, Protein S100-A16 | Authors: | Babini, E, Bertini, I, Borsi, V, Calderone, V, Hu, X, Luchinat, C, Parigi, G. | Deposit date: | 2010-10-22 | Release date: | 2010-11-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural characterization of human S100A16, a low-affinity calcium binder. J.Biol.Inorg.Chem., 16, 2011
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2L50
| Solution structure of apo S100A16 | Descriptor: | Protein S100-A16 | Authors: | Babini, E, Bertini, I, Borsi, V, Calderone, V, Hu, X, Luchinat, C, Parigi, G. | Deposit date: | 2010-10-22 | Release date: | 2010-11-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural characterization of human S100A16, a low-affinity calcium binder. J.Biol.Inorg.Chem., 16, 2011
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3IF6
| Crystal structure of OXA-46 beta-lactamase from P. aeruginosa | Descriptor: | 1,2-ETHANEDIOL, HEXAETHYLENE GLYCOL, L(+)-TARTARIC ACID, ... | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Giuliani, F, Kapetis, D, De Luca, F, Rossolini, G.M, Mangani, S. | Deposit date: | 2009-07-24 | Release date: | 2010-03-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the narrow-spectrum OXA-46 class D beta-lactamase: relationship between active-site lysine carbamylation and inhibition by polycarboxylates Antimicrob.Agents Chemother., 54, 2010
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8PHL
| Human carbonic anhydrase II containing 4-fluorophenylalanine | Descriptor: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | Deposit date: | 2023-06-20 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Controlling the incorporation of fluorinated amino acids in human cells and its structural impact. Protein Sci., 33, 2024
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8P6U
| Human carbonic anhydrase II containing 5-fluorotryptophanes | Descriptor: | BENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | Deposit date: | 2023-05-30 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Controlling the incorporation of fluorinated amino acids in human cells and its structural impact. Protein Sci., 33, 2024
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8Q0C
| Human carbonic anhydrase II containing 3-fluorotyrosine | Descriptor: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | Deposit date: | 2023-07-28 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Controlling the incorporation of fluorinated amino acids in human cells and its structural impact. Protein Sci., 33, 2024
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1RMZ
| Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH at 1.3 A resolution | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | Deposit date: | 2003-11-28 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Conformational variability of matrix metalloproteinases: beyond a single 3D structure. Proc.Natl.Acad.Sci.Usa, 102, 2005
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6R8G
| Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with 4-(3,4-difluorophenyl)thiazol-2-amine | Descriptor: | 4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine, 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: | 2019-04-01 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Fragment-Based Approach Identifies an Allosteric Pocket that Impacts Malate Dehydrogenase Activity Commun Biol, 2021
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2JXY
| Solution structure of the hemopexin-like domain of MMP12 | Descriptor: | CALCIUM ION, Macrophage metalloelastase | Authors: | Bertini, I, Calderone, V, Fragai, M, Jaiswal, R, Luchinat, C, Melikian, M. | Deposit date: | 2007-12-01 | Release date: | 2008-05-27 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | 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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4DPE
| 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: | 2012-02-13 | Release date: | 2013-02-20 | Last modified: | 2023-09-13 | 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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1YCM
| Solution Structure of matrix metalloproteinase 12 (MMP12) in the presence of N-Isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH) | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | Authors: | Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P, Structural Proteomics in Europe (SPINE) | Deposit date: | 2004-12-22 | Release date: | 2005-04-19 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Conformational variability of matrix metalloproteinases: Beyond a single 3D structure. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1Z3J
| Solution Structure of MMP12 in the presence of N-isobutyl-N-4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH) | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | Authors: | Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P. | Deposit date: | 2005-03-13 | Release date: | 2005-04-19 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Conformational variability of matrix metalloproteinases: Beyond a single 3D structure. Proc.Natl.Acad.Sci.Usa, 102, 2005
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2HEG
| Phospho-Aspartyl Intermediate Analogue of Apha class B acid phosphatase/phosphotransferase | Descriptor: | Class B acid phosphatase, MAGNESIUM ION | Authors: | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | Deposit date: | 2006-06-21 | Release date: | 2008-03-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: |
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2HF7
| Transition State Analogue of AphA class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex) | Descriptor: | ALUMINUM FLUORIDE, Class B acid phosphatase, MAGNESIUM ION | Authors: | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | Deposit date: | 2006-06-23 | Release date: | 2008-03-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: |
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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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3LVZ
| New refinement of the crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum | Descriptor: | Blr6230 protein, ZINC ION | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Stoczko, M, Rossolini, G.M, Mangani, S. | Deposit date: | 2010-02-23 | Release date: | 2011-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.4 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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3NX7
| Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-Hydroxy-2-(N-(2-hydroxyethyl)4-methoxyphenylsulfonamido)acetamide | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide, ... | Authors: | Bertini, I, Calderone, V, Fragai, M, Giachetti, A, Loconte, M, Luchinat, C, Maletta, M, Nativi, C, Yeo, K.J. | Deposit date: | 2010-07-13 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases J.Am.Chem.Soc., 129, 2007
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3RE0
| Crystal structure of human apo Cu,Zn superoxide dismutase (SOD1) complexed with cisplatin | Descriptor: | Cisplatin, Superoxide dismutase [Cu-Zn] | Authors: | Bertini, I, Blazevits, O, Calderone, V, Jaifei, M, Vieru, M, Amori, I, Cozzolino, M, Carri, M.T, Banci, L. | Deposit date: | 2011-04-02 | Release date: | 2012-04-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Interaction of cisplatin with human superoxide dismutase. J.Am.Chem.Soc., 134, 2012
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3RTT
| Human MMP-12 catalytic domain in complex with*(R)-N*-Hydroxy-1-(phenethylsulfonyl)pyrrolidine-2-carboxamide | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-1-[(2-phenylethyl)sulfonyl]-D-prolinamide, ... | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mori, M, Nativi, C. | Deposit date: | 2011-05-04 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Contribution of ligand free energy of solvation to design new potent MMPs inhibitors. J.Med.Chem., 2012
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3RTS
| Human MMP-12 catalytic domain in complex with*N*-Hydroxy-2-(2-phenylethylsulfonamido)acetamide | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-[(2-phenylethyl)sulfonyl]glycinamide, ... | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mori, M, Nativi, C. | Deposit date: | 2011-05-04 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Contribution of ligand free energy of solvation to design new potent MMPs inhibitors. J.Med.Chem., 2012
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4G9L
| Structure of MMP3 complexed with NNGH inhibitor. | Descriptor: | CALCIUM ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, Stromelysin-1, ... | Authors: | Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D. | Deposit date: | 2012-07-24 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure of matrix metalloproteinase-3 with a platinum-based inhibitor. Chem.Commun.(Camb.), 49, 2013
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