1BFY
 
 | | SOLUTION STRUCTURE OF REDUCED CLOSTRIDIUM PASTEURIANUM RUBREDOXIN, NMR, 20 STRUCTURES | | Descriptor: | FE (III) ION, RUBREDOXIN | | Authors: | Bertini, I, Kurtz Junior, D.M, Eidsness, M.K, Liu, G, Luchinat, C, Rosato, A, Scott, R.A. | | Deposit date: | 1998-05-23 | | Release date: | 1999-05-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Reduced Clostridium Pasteurianum Rubredoxin
J.Biol.Inorg.Chem., 3, 1998
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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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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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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: | 2024-10-09 | | 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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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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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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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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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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2LLP
 | | Solution structure of a THP type 1 alpha 1 collagen fragment (772-786) | | Descriptor: | Collagen alpha-1(I) chain | | Authors: | Bertini, I, Fragai, M, Luchinat, C, Melikian, M, Toccafondi, M, Lauer, J.L, Fields, G.B, Structural Proteomics in Europe 2 (SPINE-2) | | Deposit date: | 2011-11-15 | | Release date: | 2012-05-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural basis for matrix metalloproteinase 1-catalyzed collagenolysis.
J.Am.Chem.Soc., 134, 2012
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2M0R
 | | Solution structure and dynamics of human S100A14 | | Descriptor: | Protein S100-A14 | | Authors: | Bertini, I, Borsi, V, Cerofolini, L, Das Gupta, S, Fragai, M, Luchinat, C. | | Deposit date: | 2012-11-05 | | Release date: | 2013-01-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of human S100A14.
J.Biol.Inorg.Chem., 18, 2013
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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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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: | 2024-10-16 | | 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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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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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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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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6TI5
 | | A New Structural Model of Abeta(1-40) Fibrils | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Bertini, I, Gonnelli, L, Luchinat, C, Mao, J, Nesi, A. | | Deposit date: | 2019-11-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-06-19 | | Method: | SOLID-STATE NMR | | Cite: | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
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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: | 2024-10-30 | | 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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2OXZ
 | | Human MMP-12 in complex with two peptides PQG and IAG | | Descriptor: | CALCIUM ION, ILE-ALA-GLY peptide, Macrophage metalloelastase, ... | | Authors: | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | | Deposit date: | 2007-02-21 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
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2OXW
 | | Human MMP-12 complexed with the peptide IAG | | Descriptor: | CALCIUM ION, ILE-ALA-GLY peptide, Macrophage metalloelastase, ... | | Authors: | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | | Deposit date: | 2007-02-21 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
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2OXU
 | | Uninhibited form of human MMP-12 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, ZINC ION | | Authors: | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | | Deposit date: | 2007-02-21 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
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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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