3CAO
 
 | | OXIDISED STRUCTURE OF THE ACIDIC CYTOCHROME C3 FROM DESULFOVIBRIO AFRICANUS | | Descriptor: | ARSENIC, CYTOCHROME C3, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Norager, S, Legrand, P, Pieulle, L, Hatchikian, C, Roth, M. | | Deposit date: | 1998-11-17 | | Release date: | 2000-07-23 | | Last modified: | 2018-04-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the oxidised and reduced acidic cytochrome c3from Desulfovibrio africanus.
J.Mol.Biol., 290, 1999
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2E1M
 | | Crystal Structure of L-Glutamate Oxidase from Streptomyces sp. X-119-6 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-glutamate oxidase, PHOSPHATE ION | | Authors: | Sasaki, C, Kashima, A, Sakaguchi, C, Mizuno, H, Arima, J, Kusakabe, H, Tamura, T, Sugio, S, Inagaki, K. | | Deposit date: | 2006-10-26 | | Release date: | 2007-11-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural characterization of l-glutamate oxidase from Streptomyces sp. X-119-6
Febs J., 276, 2009
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2CKS
 | | X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THERMOBIFIDA FUSCA ENDOGLUCANASE CEL5A (E5) | | Descriptor: | BENZAMIDINE, ENDOGLUCANASE E-5, SODIUM ION, ... | | Authors: | Berglund, G.I, Gualfetti, P.J, Requadt, C, Gross, L.S, Bergfors, T, Shaw, A, Saldajeno, M, Mitchinson, C, Sandgren, M. | | Deposit date: | 2006-04-21 | | Release date: | 2007-05-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase Cel5A in Complex with Cellotetraose
To be Published
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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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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: | 2024-01-10 | | 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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1QUW
 | | SOLUTION STRUCTURE OF THE THIOREDOXIN FROM BACILLUS ACIDOCALDARIUS | | Descriptor: | THIOREDOXIN | | Authors: | Nicastro, G, de Chiara, C, Pedone, E, Tato, M, Rossi, M. | | Deposit date: | 1999-07-02 | | Release date: | 2000-01-26 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of a novel thioredoxin from Bacillus acidocaldarius possible determinants of protein stability.
Eur.J.Biochem., 267, 2000
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8OGD
 | | Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate | | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, THIOCYANATE ION, ... | | Authors: | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | | Deposit date: | 2023-03-20 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
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8OGE
 | | Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate | | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ... | | Authors: | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | | Deposit date: | 2023-03-20 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
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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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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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7BUH
 | | Reduced ferredoxin of carbazole 1,9a-dioxygenase | | Descriptor: | 1,2-ETHANEDIOL, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ... | | Authors: | Matsuzawa, J, Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | | Deposit date: | 2020-04-06 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Reduced ferredoxin of carbazole 1,9a-dioxygenase
To Be Published
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7BUG
 | | Reduced oxygenase of carbazole 1,9a-dioxygenase | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, CARBONATE ION, ... | | Authors: | Matsuzawa, J, Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | | Deposit date: | 2020-04-06 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Reduced oxygenase of carbazole 1,9a-dioxygenase
To Be Published
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7BUI
 | | Complex of reduced oxygenase and oxidized ferredoxin in carbazole 1,9a- dioxygenase | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FE (II) ION, ... | | Authors: | Matsuzawa, J, Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | | Deposit date: | 2020-04-06 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Complex of reduced oxygenase and oxidized ferredoxin in carbazole 1,9a- dioxygenase
To Be Published
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3EM3
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3EM4
 | | Crystal structure of atazanavir (ATV) in complex with I50L/A71V drug-resistant HIV-1 protease | | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ... | | Authors: | Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C. | | Deposit date: | 2008-09-23 | | Release date: | 2009-09-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Kinetic and Structural studies on atazanavir-specific I50L drug-resistant HIV-1 protease mutant
To be Published
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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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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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3KXM
 | | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor K74 | | Descriptor: | Casein kinase II subunit alpha, N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide | | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | | Deposit date: | 2009-12-03 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
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3KXG
 | | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64) | | Descriptor: | 3,4,5,6,7-pentabromo-1H-indazole, Casein kinase II subunit alpha | | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | | Deposit date: | 2009-12-03 | | Release date: | 2010-11-17 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
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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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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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3H63
 | | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ 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, 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 (1.3 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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3H67
 | | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms complexed with cantharidic acid | | 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 (1.65 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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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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