3H69
 
 | | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms complexed with endothall | | Descriptor: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | | Deposit date: | 2009-04-23 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
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3H68
 | | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms originally soaked with cantharidin (which is present in the structure in the hydrolyzed form) | | Descriptor: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | | Deposit date: | 2009-04-23 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
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1OS2
 | | Ternary enzyme-product-inhibitor complexes of human MMP12 | | Descriptor: | ACETATE ION, ACETOHYDROXAMIC ACID, AZIDE ION, ... | | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | | Deposit date: | 2003-03-18 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases
Angew.Chem.Int.Ed.Engl., 42, 2003
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1KSM
 | | AVERAGE NMR SOLUTION STRUCTURE OF CA LN CALBINDIN D9K | | Descriptor: | LANTHANUM (III) ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN | | Authors: | Bertini, I, Donaire, A, Luchinat, C, Piccioli, M, Poggi, L, Parigi, G, Jimenez, B. | | Deposit date: | 2002-01-14 | | Release date: | 2002-01-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k.
J.Biomol.NMR, 21, 2001
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1KQV
 | | Family of NMR Solution Structures of Ca Ln Calbindin D9K | | Descriptor: | LANTHANUM (III) ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN | | Authors: | Bertini, I, Donaire, A, Jimenez, B, Luchinat, C, Parigi, G, Piccioli, M, Poggi, L. | | Deposit date: | 2002-01-08 | | Release date: | 2002-01-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k.
J.Biomol.NMR, 21, 2001
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1OS9
 | | Binary enzyme-product complexes of human MMP12 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, ZINC ION | | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | | Deposit date: | 2003-03-19 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases
Angew.Chem.Int.Ed.Engl., 42, 2003
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1FMY
 | | HIGH RESOLUTION SOLUTION STRUCTURE OF THE PROTEIN PART OF CU7 METALLOTHIONEIN | | Descriptor: | METALLOTHIONEIN | | Authors: | Bertini, I, Hartmann, H.J, Klein, T, Liu, G, Luchinat, C, Weser, U. | | Deposit date: | 2000-08-18 | | Release date: | 2000-09-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | High resolution solution structure of the protein part of Cu7 metallothionein.
Eur.J.Biochem., 267, 2000
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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: | 2024-05-22 | | 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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1S05
 | | NMR-validated structural model for oxidized R.palustris cytochrome c556 | | Descriptor: | Cytochrome c-556, HEME C | | Authors: | Bertini, I, Faraone-Mennella, J, Gray, H.B, Luchinat, C, Parigi, G, Winkler, J.R. | | Deposit date: | 2003-12-30 | | Release date: | 2004-01-20 | | Last modified: | 2021-03-03 | | Method: | SOLUTION NMR | | Cite: | NMR-validated structural model for oxidized Rhodopseudomonas palustris cytochrome c(556).
J.Biol.Inorg.Chem., 9, 2004
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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: | 2024-05-22 | | 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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3H60
 | | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Mn2+ atoms | | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | | Deposit date: | 2009-04-23 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
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2K1R
 | | The solution NMR structure of the complex between MNK1 and HAH1 mediated by Cu(I) | | Descriptor: | COPPER (II) ION, Copper transport protein ATOX1, Copper-transporting ATPase 1 | | Authors: | Bertini, I, Banci, L.C, Felli, I.C, Pavelkova, A, Rosato, A, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2008-03-14 | | Release date: | 2009-03-31 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the copper(I)-mediated complex between the first soluble domain of the Menkes protein and the metallochaperone HAH1.
To be Published
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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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1J5C
 | | SOLUTION STRUCTURE OF OXIDIZED PARAMAGNETIC CU(II) PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803 | | Descriptor: | COPPER (II) ION, PLASTOCYANIN | | Authors: | Bertini, I, Ciurli, S, Dikiy, A, Fernandez, C.O, Luchinat, C, Safarov, N, Shumilin, S, Vila, A.J. | | Deposit date: | 2002-04-02 | | Release date: | 2002-04-10 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | The first solution structure of a paramagnetic copper(II) protein: the case of oxidized plastocyanin from the cyanobacterium Synechocystis PCC6803.
J.Am.Chem.Soc., 123, 2001
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1J5D
 | | SOLUTION STRUCTURE OF OXIDIZED PARAMAGNETIC CU(II) PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803-MINIMIZED AVERAGE STRUCTURE | | Descriptor: | COPPER (II) ION, PLASTOCYANIN | | Authors: | Bertini, I, Ciurli, S, Dikiy, A, Fernandez, C.O, Luchinat, C, Safarov, N, Shumilin, S, Vila, A.J. | | Deposit date: | 2002-04-02 | | Release date: | 2002-04-10 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | The first solution structure of a paramagnetic copper(II) protein: the case of oxidized plastocyanin from the cyanobacterium Synechocystis PCC6803.
J.Am.Chem.Soc., 123, 2001
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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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2L0Y
 | | Complex hMia40-hCox17 | | Descriptor: | COX17 cytochrome c oxidase assembly homolog (S. cerevisiae) pseudogene (COX17), Mitochondrial intermembrane space import and assembly protein 40 | | Authors: | Bertini, I, Ciofi-Baffoni, S, Gallo, A. | | Deposit date: | 2010-07-20 | | Release date: | 2010-11-24 | | Last modified: | 2020-02-05 | | Method: | SOLUTION NMR | | Cite: | Molecular chaperone function of Mia40 triggers consecutive induced folding steps of the substrate in mitochondrial protein import.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2K0J
 | | Solution structure of CaM complexed to DRP1p | | Descriptor: | CALCIUM ION, LANTHANUM (III) ION, calmodulin | | Authors: | Bertini, I, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2008-02-04 | | Release date: | 2009-03-10 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples.
J.Am.Chem.Soc., 131, 2009
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2K61
 | | Solution structure of CaM complexed to DAPk peptide | | Descriptor: | CALCIUM ION, Calmodulin, TERBIUM(III) ION | | Authors: | Bertini, I, Luchinat, C, Parigi, G, Yuan, J. | | Deposit date: | 2008-07-02 | | Release date: | 2009-05-05 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples.
J.Am.Chem.Soc., 131, 2009
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2LGQ
 | | Human C30S/C59S-Cox17 mutant | | Descriptor: | Cytochrome c oxidase copper chaperone | | Authors: | Bertini, I, Ciofi-Baffoni, S, Gallo, A. | | Deposit date: | 2011-08-01 | | Release date: | 2011-08-17 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Functional role of two interhelical disulfide bonds in human cox17 protein from a structural perspective.
J.Biol.Chem., 286, 2011
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2KAX
 | | Solution structure and dynamics of S100A5 in the apo and Ca2+ -bound states | | Descriptor: | Protein S100-A5 | | Authors: | Bertini, I, Das Gupta, S, Hu, X, Karavelas, T, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2) | | Deposit date: | 2008-11-17 | | Release date: | 2009-06-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states
J.Biol.Inorg.Chem., 14, 2009
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2KAY
 | | Solution structure and dynamics of S100A5 in the Ca2+ -bound states | | Descriptor: | CALCIUM ION, Protein S100-A5 | | Authors: | Bertini, I, Das Gupta, S, Hu, X, Karavelas, T, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2) | | Deposit date: | 2008-11-17 | | Release date: | 2009-06-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states
J.Biol.Inorg.Chem., 14, 2009
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2KRJ
 | | High-Resolution Solid-State NMR Structure of a 17.6 kDa Protein | | Descriptor: | COBALT (II) ION, Macrophage metalloelastase | | Authors: | Bertini, I, Bhaumik, A, De Pa pe, G, Griffin, R.G, Lelli, M, Lewandowski, J.R, Luchinat, C. | | Deposit date: | 2009-12-18 | | Release date: | 2010-02-23 | | Last modified: | 2024-05-01 | | Method: | SOLID-STATE NMR | | Cite: | High-resolution solid-state NMR structure of a 17.6 kDa protein.
J.Am.Chem.Soc., 132, 2010
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2GGP
 | | Solution structure of the Atx1-Cu(I)-Ccc2a complex | | Descriptor: | COPPER (I) ION, Metal homeostasis factor ATX1, Probable copper-transporting ATPase | | Authors: | Banci, L, Bertini, I, Cantini, F, Felli, I.C, Gonnelli, L, Hadjiliadis, N, Pierattelli, R, Rosato, A, Voulgaris, P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2006-03-24 | | Release date: | 2006-08-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The Atx1-Ccc2 complex is a metal-mediated protein-protein interaction.
Nat.Chem.Biol., 2, 2006
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