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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2K9C
| Paramagnetic shifts in solid-state NMR of Proteins to elicit structural information | Descriptor: | COBALT (II) ION, Macrophage metalloelastase | Authors: | Balayssac, S, Bertini, I, Bhaumik, A, Lelli, M, Luchinat, C. | Deposit date: | 2008-10-08 | Release date: | 2008-11-18 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Paramagnetic shifts in solid-state NMR of proteins to elicit structural information Proc.Natl.Acad.Sci.Usa, 105, 2008
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8RI9
| Late alpha-Synuclein fibril structure from liquid-liquid phase separations. | Descriptor: | Alpha-synuclein | Authors: | De Simone, A, Barritt, J.D, Chen, S, Cascella, R, Cecchi, C, Bigi, A, Jarvis, J.A, Chiti, F, Dobson, C.M, Fusco, G. | Deposit date: | 2023-12-18 | Release date: | 2024-03-06 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure-Toxicity Relationship in Intermediate Fibrils from alpha-Synuclein Condensates. J.Am.Chem.Soc., 146, 2024
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4J2C
| GARP-SNARE Interaction | Descriptor: | Syntaxin-6, Vacuolar protein sorting-associated protein 51 homolog | Authors: | Abascal-Palacios, G, Schindler, C, Rojas, A.L, Bonifacino, J.S, Hierro, A. | Deposit date: | 2013-02-04 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structural basis for the interaction of the Golgi-Associated Retrograde Protein Complex with the t-SNARE Syntaxin 6. Structure, 21, 2013
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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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1K0T
| NMR SOLUTION STRUCTURE OF UNBOUND, OXIDIZED PHOTOSYSTEM I SUBUNIT PSAC, CONTAINING [4FE-4S] CLUSTERS FA AND FB | Descriptor: | IRON/SULFUR CLUSTER, PSAC SUBUNIT OF PHOTOSYSTEM I | Authors: | Antonkine, M.L, Liu, G, Bentrop, D, Bryant, D.A, Bertini, I, Luchinat, C, Golbeck, J.H, Stehlik, D. | Deposit date: | 2001-09-20 | Release date: | 2002-06-05 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the unbound, oxidized Photosystem I subunit PsaC, containing [4Fe-4S] clusters F(A) and F(B): a conformational change occurs upon binding to photosystem I. J.Biol.Inorg.Chem., 7, 2002
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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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1HRR
| THE THREE DIMENSIONAL STRUCTURE OF THE REDUCED HIGH POTENTIAL IRON-SULFUR PROTEIN FROM CHROMATIUM VINOSUM THROUGH NMR | Descriptor: | IRON/SULFUR CLUSTER, REDUCED HIGH POTENTIAL IRON SULFUR PROTEIN | Authors: | Banci, L, Bertini, I, Dikiy, A, Kastrau, D.H.W, Luchinat, C, Sompornpisut, P. | Deposit date: | 1995-01-17 | Release date: | 1995-07-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The three-dimensional solution structure of the reduced high-potential iron-sulfur protein from Chromatium vinosum through NMR. Biochemistry, 34, 1995
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1HRQ
| THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE REDUCED HIGH-POTENTIAL IRON-SULFUR PROTEIN FROM CHROMATIUM VINOSUM THROUGH NMR | Descriptor: | HIGH POTENTIAL IRON SULFUR PROTEIN, IRON/SULFUR CLUSTER | Authors: | Banci, L, Bertini, I, Dikiy, A, Kastrau, D.H.W, Luchinat, C, Sompornpisut, P. | Deposit date: | 1995-01-17 | Release date: | 1995-06-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The three-dimensional solution structure of the reduced high-potential iron-sulfur protein from Chromatium vinosum through NMR. Biochemistry, 34, 1995
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5JAC
| Sixty minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | Deposit date: | 2016-04-12 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity. Chemistry, 22, 2016
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8AHW
| Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL | Authors: | de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S. | Deposit date: | 2022-07-22 | Release date: | 2023-04-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis . Acs Bio Med Chem Au, 3, 2023
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5J8S
| Iron-free state of Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | Descriptor: | CHLORIDE ION, Ferritin, middle subunit, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | Deposit date: | 2016-04-08 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity. Chemistry, 22, 2016
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5J8W
| One minute iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | Deposit date: | 2016-04-08 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity. Chemistry, 22, 2016
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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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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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5AE6
| The structure of Hypocrea jecorina beta-xylosidase Xyl3A (Bxl1) in complex with 4-thioxylobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-XYLOSIDASE, ... | Authors: | Mikkelsen, N.E, Gudmundsson, M, Karkehabadi, S, Hansson, H, Sandgren, M, Larenas, E, Mitchinson, C, Keleman, B, Kaper, T. | Deposit date: | 2015-08-26 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Th Crystal Structure of a Fungal Glycoside Hydrolase Family 3 Beta-Xylosidase, Xyl3A from Hypocrea Jecorina To be Published
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5EUE
| S1P Lyase Bacterial Surrogate bound to N-(2-((4-methoxy-2,5-dimethylbenzyl)amino)-1-phenylethyl)-5-methylisoxazole-3-carboxamide | Descriptor: | PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide | Authors: | Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M. | Deposit date: | 2015-11-18 | Release date: | 2016-03-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Creation of a S1P Lyase bacterial surrogate for structure-based drug design. Bioorg.Med.Chem.Lett., 26, 2016
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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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6M0S
| 3.6A Yeast Vo state3 prime | Descriptor: | Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, vacuolar isoform, ... | Authors: | Roh, S.H, Shekhar, M, Pintilie, G, Chipot, C, Wilkens, S, SIngharoy, A, Chiu, W. | Deposit date: | 2020-02-22 | Release date: | 2020-11-04 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM and MD infer water-mediated proton transport and autoinhibition mechanisms of V o complex. Sci Adv, 6, 2020
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6LL1
| Oxygen-exposed reduced terminal oxygenase in carbazole 1,9a-dioxygenase | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2019-12-21 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Oxygen-exposed reduced terminal oxygenase in carbazole 1,9a-dioxygenase To Be Published
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6LLH
| Biphenyl-2,3-diol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BIPHENYL-2,3-DIOL, ... | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2019-12-23 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Biphenyl-2,2',3-triol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase To Be Published
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5EUD
| S1P Lyase Bacterial Surrogate bound to N-(1-(4-(3-hydroxyprop-1-yn-1-yl)phenyl)-2-((4-methoxy-2,5-dimethylbenzyl)amino)ethyl)-5-methylisoxazole-3-carboxamide | Descriptor: | PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide | Authors: | Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M. | Deposit date: | 2015-11-18 | Release date: | 2016-03-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Creation of a S1P Lyase bacterial surrogate for structure-based drug design. Bioorg.Med.Chem.Lett., 26, 2016
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6LLF
| Biphenyl-2,2',3-triol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase | Descriptor: | 1,2-ETHANEDIOL, 3-(2-hydroxyphenyl)benzene-1,2-diol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2019-12-23 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Biphenyl-2,2',3-triol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase To Be Published
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6LLK
| Biphenyl-2,2',3-triol-soaked terminal oxygenase of carbazole 1,9a-dioxygenase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(2-hydroxyphenyl)benzene-1,2-diol, DIMETHYL SULFOXIDE, ... | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2019-12-23 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biphenyl-2,2',3-triol-soaked terminal oxygenase of carbazole 1,9a-dioxygenase To Be Published
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