5LAB
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1CLF
| CLOSTRIDIUM PASTEURIANUM FERREDOXIN | Descriptor: | FERREDOXIN, IRON/SULFUR CLUSTER | Authors: | Bertini, I, Donaire, A, Feinberg, B.A, Luchinat, C, Piccioli, M, Yuan, H. | Deposit date: | 1995-06-21 | Release date: | 1996-01-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the oxidized 2[4Fe-4S] ferredoxin from Clostridium pasteurianum. Eur.J.Biochem., 232, 1995
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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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5HYD
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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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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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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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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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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: | 2023-11-01 | 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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6H6S
| Sad phasing on nickel-substituted human carbonic anhydrase II | Descriptor: | Carbonic anhydrase 2, NICKEL (II) ION | Authors: | Calderone, V, Fragai, M, Silva, J.P, Luchinat, C, Ravera, E, Geraldes, C.F.G.C, Macedo, A.L, Cerofolini, L, Giuntini, S. | Deposit date: | 2018-07-30 | Release date: | 2019-01-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects? J. Biol. Inorg. Chem., 24, 2019
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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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6YEL
| Stromal interaction molecule 1 coiled-coil 1 fragment | Descriptor: | Stromal interaction molecule 1 | Authors: | Rathner, P, Cerofolini, L, Ravera, E, Bechmann, M, Grabmayr, H, Fahrner, M, Fragai, M, Romanin, C, Luchinat, C, Mueller, N. | Deposit date: | 2020-03-25 | Release date: | 2020-09-02 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Interhelical interactions within the STIM1 CC1 domain modulate CRAC channel activation. Nat.Chem.Biol., 17, 2021
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1TTX
| Solution Structure of human beta parvalbumin (oncomodulin) refined with a paramagnetism based strategy | Descriptor: | CALCIUM ION, Oncomodulin | Authors: | Babini, E, Bertini, I, Capozzi, F, Del Bianco, C, Hollender, D, Kiss, T, Luchinat, C, Quattrone, A, Structural Proteomics in Europe (SPINE) | Deposit date: | 2004-06-23 | Release date: | 2005-01-18 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of Human beta-Parvalbumin and Structural Comparison with Its Paralog alpha-Parvalbumin and with Their Rat Orthologs(,) Biochemistry, 43, 2004
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1Y93
| Crystal structure of the catalytic domain of human MMP12 complexed with acetohydroxamic acid at atomic resolution | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.-M, Luchinat, C, Mangani, S, Terni, B, Turano, P. | Deposit date: | 2004-12-14 | Release date: | 2005-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Conformational variability of matrix metalloproteinases: Beyond a single 3D structure Proc.Natl.Acad.Sci.Usa, 102, 2005
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1SW8
| Solution structure of the N-terminal domain of Human N60D calmodulin refined with paramagnetism based strategy | Descriptor: | CALCIUM ION, Calmodulin | Authors: | Bertini, I, Del Bianco, C, Gelis, I, Katsaros, N, Luchinat, C, Parigi, G, Peana, M, Provenzani, A, Zoroddu, M.A, Structural Proteomics in Europe (SPINE) | Deposit date: | 2004-03-30 | Release date: | 2004-04-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Experimentally exploring the conformational space sampled by domain reorientation in calmodulin Proc.Natl.Acad.Sci.USA, 101, 2004
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1JXF
| SOLUTION STRUCTURE OF REDUCED CU(I) PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803 | Descriptor: | COPPER (II) ION, PLASTOCYANIN | Authors: | Bertini, I, Bryant, D.A, Ciurli, S, Dikiy, A, Fernandez, C.O, Luchinat, C, Safarov, N, Vila, A.J, Zhao, J. | Deposit date: | 2001-09-07 | Release date: | 2001-09-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Backbone dynamics of plastocyanin in both oxidation states. Solution structure of the reduced form and comparison with the oxidized state. J.Biol.Chem., 276, 2001
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1JXD
| SOLUTION STRUCTURE OF REDUCED CU(I) PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803 | Descriptor: | COPPER (II) ION, PLASTOCYANIN | Authors: | Bertini, I, Bryant, D.A, Ciurli, S, Dikiy, A, Fernandez, C.O, Luchinat, C, Safarov, N, Vila, A.J, Zhao, J. | Deposit date: | 2001-09-07 | Release date: | 2001-09-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Backbone dynamics of plastocyanin in both oxidation states. Solution structure of the reduced form and comparison with the oxidized state. J.Biol.Chem., 276, 2001
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1CKU
| AB INITIO SOLUTION AND REFINEMENT OF TWO HIGH POTENTIAL IRON PROTEIN STRUCTURES AT ATOMIC RESOLUTION | Descriptor: | IRON/SULFUR CLUSTER, PROTEIN (HIPIP) | Authors: | Parisini, E, Capozzi, F, Lubini, P, Lamzin, V, Luchinat, C, Sheldrick, G.M. | Deposit date: | 1999-04-24 | Release date: | 1999-05-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Ab initio solution and refinement of two high-potential iron protein structures at atomic resolution. Acta Crystallogr.,Sect.D, 55, 1999
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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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4GUY
| Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide, ... | Authors: | Calderone, V, Fragai, M, Luchinat, C, Massaro, A, Mordini, A, Mori, M. | Deposit date: | 2012-08-30 | Release date: | 2012-09-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors. To be Published
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1RJU
| Crystal structure of a truncated form of yeast copper thionein | Descriptor: | COPPER (I) ION, Metallothionein | Authors: | Calderone, V, Dolderer, B, Hartmann, H.J, Echner, H, Luchinat, C, Del Bianco, C, Mangani, S, Weser, U. | Deposit date: | 2003-11-20 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | The Crystal Structure of Yeast Copper Thionein: the solution of a long lasting Enigma. Proc.Natl.Acad.Sci.USA, 102, 2005
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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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1NOE
| NMR STUDY OF REDUCED HIGH POTENTIAL IRON SULFUR PROTEIN | Descriptor: | HIGH POTENTIAL IRON SULFUR PROTEIN, IRON/SULFUR CLUSTER | Authors: | Bentrop, D, Bertini, I, Capozzi, F, Dikiy, A, Eltis, L, Luchinat, C. | Deposit date: | 1996-01-07 | Release date: | 1996-06-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of the reduced C77S mutant of the Chromatium vinosum high-potential iron-sulfur protein through nuclear magnetic resonance: comparison with the solution structure of the wild-type protein. Biochemistry, 35, 1996
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