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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3H61
| Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms originally soaked with norcantharidin (which is present in the structure in the hydrolyzed form) | Descriptor: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 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 (1.45 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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5LHU
| ATP Phosphoribosyltransferase from Mycobacterium tuberculosis in complex with the allosteric inhibitor L-Histidine | Descriptor: | ATP phosphoribosyltransferase, GLYCEROL, HISTIDINE, ... | Authors: | de Chiara, C, Pisco, J.P, de Carvalho, L.P, Smerdon, S.J, Walker, P.A, Ogrodowicz, R. | Deposit date: | 2016-07-12 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Uncoupling conformational states from activity in an allosteric enzyme. Nat Commun, 8, 2017
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4P18
| Crystal Structure of frog M ferritin mutant D80K | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Ghini, V, Turano, P. | Deposit date: | 2014-02-25 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Loop electrostatics modulates the intersubunit interactions in ferritin. Acs Chem.Biol., 9, 2014
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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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1GX7
| Best model of the electron transfer complex between cytochrome c3 and [Fe]-hydrogenase | Descriptor: | 1,3-PROPANEDITHIOL, CARBON MONOXIDE, CYANIDE ION, ... | Authors: | Elantak, L, Morelli, X, Bornet, O, Hatchikian, C, Czjzek, M, Dolla, A, Guerlesquin, F. | Deposit date: | 2002-03-28 | Release date: | 2003-07-31 | Last modified: | 2019-11-27 | Method: | SOLUTION NMR, THEORETICAL MODEL | Cite: | The Cytochrome C(3)-[Fe]-Hydrogenase Electron-Transfer Complex: Structural Model by NMR Restrained Docking FEBS Lett., 548, 2003
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1H5O
| Solution structure of Crotamine, a neurotoxin from Crotalus durissus terrificus | Descriptor: | MYOTOXIN | Authors: | Nicastro, G, Franzoni, L, De Chiara, C, Mancin, C.A, Giglio, J.R, Spisni, A. | Deposit date: | 2001-05-23 | Release date: | 2003-05-09 | Last modified: | 2013-07-24 | Method: | SOLUTION NMR | Cite: | Solution Structure of Crotamine, a Na+ Channel Affecting Toxin from Crotalus Durissus Terrificus Venom Eur.J.Biochem., 270, 2003
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1H8V
| The X-ray Crystal Structure of the Trichoderma reesei Family 12 Endoglucanase 3, Cel12A, at 1.9 A Resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDO-BETA-1,4-GLUCANASE | Authors: | Sandgren, M, Shaw, A, Ropp, T.H, Wu, S, Bott, R, Cameron, A.D, Stahlberg, J, Mitchinson, C, Jones, T.A. | Deposit date: | 2001-02-16 | Release date: | 2001-04-24 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The X-Ray Crystal Structure of the Trichoderma Reesei Family 12 Endoglucanase 3, Cel12A, at 1.9 A Resolution J.Mol.Biol., 308, 2001
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1W2U
| X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH A SOAKED THIO CELLOTETRAOSE | Descriptor: | ENDOGLUCANASE, SULFATE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M. | Deposit date: | 2004-07-08 | Release date: | 2004-09-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A J.Mol.Biol., 342, 2004
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4CSI
| Crystal structure of the thermostable Cellobiohydrolase Cel7A from the fungus Humicola grisea var. thermoidea. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULASE, DI(HYDROXYETHYL)ETHER | Authors: | Haddad-Momeni, M, Goedegebuur, F, Hansson, H, Karkehabadi, S, Askarieh, G, Mitchinson, C, Larenas, E, Stahlberg, J, Sandgren, M. | Deposit date: | 2014-03-07 | Release date: | 2014-09-10 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Expression, Crystal Structure and Cellulase Activity of the Thermostable Cellobiohydrolase Cel7A from the Fungus Humicola Grisea Var. Thermoidea. Acta Crystallogr.,Sect.D, 70, 2014
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5LHT
| ATP Phosphoribosyltransferase from Mycobacterium tuberculosis in complex with the allosteric activator 3-(2-Thienyl)-L-alanine | Descriptor: | ATP phosphoribosyltransferase, BETA(2-THIENYL)ALANINE, GLYCEROL, ... | Authors: | de Chiara, C, Pisco, J.P, de Carvalho, L.P, Smerdon, S.J, Walker, P.A, Ogrodowicz, R. | Deposit date: | 2016-07-12 | Release date: | 2017-07-05 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.0601 Å) | Cite: | Uncoupling conformational states from activity in an allosteric enzyme. Nat Commun, 8, 2017
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1HNR
| H-NS (DNA-BINDING DOMAIN) | Descriptor: | H-NS | Authors: | Shindo, H, Iwaki, T, Ieda, R, Kurumizaka, H, Ueguchi, C, Mizuno, T, Morikawa, S, Nakamura, H, Kuboniwa, H. | Deposit date: | 1995-04-06 | Release date: | 1995-07-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the DNA binding domain of a nucleoid-associated protein, H-NS, from Escherichia coli. FEBS Lett., 360, 1995
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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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3SHI
| Crystal structure of human MMP1 catalytic domain at 2.2 A resolution | Descriptor: | CALCIUM ION, Interstitial collagenase, ZINC ION | Authors: | Bertini, I, Calderone, V, Cerofolini, L, Fragai, M, Geraldes, C.F.G.C, Hermann, P, Luchinat, C, Parigi, G, Teixeira, J. | Deposit date: | 2011-06-16 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The catalytic domain of MMP-1 studied through tagged lanthanides. Febs Lett., 586, 2012
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4AQP
| The structure of the AXH domain of ataxin-1. | Descriptor: | ATAXIN-1, DI(HYDROXYETHYL)ETHER, SODIUM ION | Authors: | Rees, M, Chen, Y.W, de Chiara, C, Pastore, A. | Deposit date: | 2012-04-19 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.452 Å) | Cite: | Self-Assembly and Conformational Heterogeneity of the Axh Domain of Ataxin-1: An Unusual Example of a Chameleon Fold Biophys.J., 104, 2013
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1UU4
| X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH CELLOBIOSE | Descriptor: | ENDO-BETA-1,4-GLUCANASE, TETRAETHYLENE GLYCOL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M. | Deposit date: | 2003-12-15 | Release date: | 2004-09-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A J.Mol.Biol., 342, 2004
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4APT
| The structure of the AXH domain of ataxin-1. | Descriptor: | ATAXIN-1, SODIUM ION | Authors: | Rees, M, Chen, Y.W, de Chiara, C, Pastore, A. | Deposit date: | 2012-04-05 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Self-Assembly and Conformational Heterogeneity of the Axh Domain of Ataxin-1: An Unusual Example of a Chameleon Fold Biophys.J., 104, 2013
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1UU5
| X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A SOAKED WITH CELLOTETRAOSE | Descriptor: | ACETATE ION, ENDO-BETA-1,4-GLUCANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M. | Deposit date: | 2003-12-15 | Release date: | 2004-09-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A J.Mol.Biol., 342, 2004
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1UU6
| X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH A SOAKED CELLOPENTAOSE | Descriptor: | ENDO-BETA-1,4-GLUCANASE, TETRAETHYLENE GLYCOL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M. | Deposit date: | 2003-12-15 | Release date: | 2004-09-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A J.Mol.Biol., 342, 2004
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2GHJ
| Crystal structure of folded and partially unfolded forms of Aquifex aeolicus ribosomal protein L20 | Descriptor: | 50S ribosomal protein L20, SULFATE ION | Authors: | Timsit, Y, Allemand, F, Chiaruttini, C, Springer, M. | Deposit date: | 2006-03-27 | Release date: | 2006-04-18 | Last modified: | 2018-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Coexistence of two protein folding states in the crystal structure of ribosomal protein L20 Embo Rep., 7, 2006
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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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1HNS
| H-NS (DNA-BINDING DOMAIN) | Descriptor: | H-NS | Authors: | Shindo, H, Iwaki, T, Ieda, R, Kurumizaka, H, Ueguchi, C, Mizuno, T, Morikawa, S, Nakamura, H, Kuboniwa, H. | Deposit date: | 1995-04-06 | Release date: | 1995-07-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the DNA binding domain of a nucleoid-associated protein, H-NS, from Escherichia coli. FEBS Lett., 360, 1995
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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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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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6RD0
| Human MMP12 catalytic domain in complex with AP280 | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Calderone, V, Fragai, M, Luchinat, C. | Deposit date: | 2019-04-12 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases. Bioorg.Med.Chem., 27, 2019
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