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4WQB
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BU of 4wqb by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - bisulfite soak
Descriptor: DI(HYDROXYETHYL)ETHER, HEME C, IODIDE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.5013 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
4WQ7
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BU of 4wq7 by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - "as isolated" form
Descriptor: HEME C, IODIDE ION, SULFATE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
4WQE
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BU of 4wqe by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - K208G mutant
Descriptor: HEME C, IODIDE ION, SULFATE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
4WQD
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BU of 4wqd by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - K208G mutant
Descriptor: 1,2-ETHANEDIOL, GUANIDINE, HEME C, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
4WQA
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BU of 4wqa by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - tetrathionate co-crystallization
Descriptor: 1,2-ETHANEDIOL, HEME C, IODIDE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
4WQ8
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BU of 4wq8 by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - tetrathionate soak
Descriptor: HEME C, IODIDE ION, SULFATE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.3989 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
4WQ9
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BU of 4wq9 by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - dithionite soak
Descriptor: 1,2-ETHANEDIOL, HEME C, HYDROSULFURIC ACID, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2021-09-08
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
4WQC
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BU of 4wqc by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - K208N mutant
Descriptor: 1,2-ETHANEDIOL, HEME C, SULFATE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
2XMH
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BU of 2xmh by Molmil
The X-ray structure of CTP:inositol-1-phosphate cytidylyltransferase from Archaeoglobus fulgidus
Descriptor: CITRATE ANION, CTP-INOSITOL-1-PHOSPHATE CYTIDYLYLTRANSFERASE
Authors:Brito, J.A, Borges, N, Vonrhein, C, Santos, H, Archer, M.
Deposit date:2010-07-27
Release date:2011-05-04
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Archaeoglobus fulgidus CTP:inositol-1-phosphate cytidylyltransferase, a key enzyme for di-myo-inositol-phosphate synthesis in (hyper)thermophiles.
J. Bacteriol., 193, 2011
2XME
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BU of 2xme by Molmil
The X-ray structure of CTP:inositol-1-phosphate cytidylyltransferase from Archaeoglobus fulgidus
Descriptor: CTP-INOSITOL-1-PHOSPHATE CYTIDYLYLTRANSFERASE, GLYCEROL
Authors:Brito, J.A, Borges, N, Vonrhein, C, Santos, H, Archer, M.
Deposit date:2010-07-27
Release date:2011-05-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal Structure of Archaeoglobus Fulgidus Ctp:Inositol-1-Phosphate Cytidylyltransferase, a Key Enzyme for Di-Myo-Inositol-Phosphate Synthesis in (Hyper)Thermophiles.
J.Bacteriol., 193, 2011
3H8L
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BU of 3h8l by Molmil
The first X-ray structure of a sulfide:quinone oxidoreductase: insights into sulfide oxidation mechanism
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase, PHOSPHATE ION, ...
Authors:Brito, J.A, Sousa, F.L, Stelter, M, Bandeiras, T.M, Vonrhein, C, Teixeira, M, Pereira, M.M, Archer, M.
Deposit date:2009-04-29
Release date:2009-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural and functional insights into sulfide:quinone oxidoreductase.
Biochemistry, 48, 2009
3H8I
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BU of 3h8i by Molmil
The first X-ray structure of a sulfide:quinone oxidoreductase: Insights into sulfide oxidation mechanism
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase, PHOSPHATE ION, ...
Authors:Brito, J.A, Sousa, F.L, Stelter, M, Bandeiras, T.M, Vonrhein, C, Teixeira, M, Pereira, M.M, Archer, M.
Deposit date:2009-04-29
Release date:2009-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and functional insights into sulfide:quinone oxidoreductase.
Biochemistry, 48, 2009
6QEO
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BU of 6qeo by Molmil
Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC269
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid, Chymotrypsin-like elastase family member 1, ...
Authors:Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
Deposit date:2019-01-08
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
6QBU
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BU of 6qbu by Molmil
Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC188
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Chymotrypsin-like elastase family member 1, PHOSPHATE ION, ...
Authors:Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
Deposit date:2018-12-21
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
5LO9
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BU of 5lo9 by Molmil
Thiosulfate dehydrogenase (TsdBA) from Marichromatium purpuratum - "as isolated" form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome C, ...
Authors:Brito, J.A, Kurth, J.M, Reuter, J, Flegler, A, Koch, T, Franke, T, Klein, E, Rowe, S, Butt, J.N, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2016-08-08
Release date:2016-10-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Electron Accepting Units of the Diheme Cytochrome c TsdA, a Bifunctional Thiosulfate Dehydrogenase/Tetrathionate Reductase.
J.Biol.Chem., 291, 2016
6QEN
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BU of 6qen by Molmil
Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC240
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid, Chymotrypsin-like elastase family member 1, ...
Authors:Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
Deposit date:2019-01-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.195 Å)
Cite:3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
6SMA
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BU of 6sma by Molmil
Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid, ...
Authors:Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
Deposit date:2019-08-21
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
5NA1
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BU of 5na1 by Molmil
NADH:quinone oxidoreductase (NDH-II) from Staphylococcus aureus - holoprotein structure - 2.32 A resolution
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, NADH dehydrogenase-like protein SAOUHSC_00878, ...
Authors:Brito, J.A, Athayde, D, Sousa, F.M, Sena, F.V, Pereira, M.M, Archer, M.
Deposit date:2017-02-27
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus.
Biochim. Biophys. Acta, 1858, 2017
4P8I
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BU of 4p8i by Molmil
Tgl - a bacterial spore coat transglutaminase
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Brito, J.A, Placido, D, Fernandes, C, Lousa, D, Isidro, A, Soares, C.M, Pohl, J, Carrondo, M.A, Henriques, A.O, Archer, M.
Deposit date:2014-03-31
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Functional Characterization of an Ancient Bacterial Transglutaminase Sheds Light on the Minimal Requirements for Protein Cross-Linking.
Biochemistry, 54, 2015
4PA5
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BU of 4pa5 by Molmil
Tgl - a bacterial spore coat transglutaminase - cystamine complex
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, CITRATE ANION, ...
Authors:Brito, J.A, Placido, D, Fernandes, C.G, Lousa, D, Isidro, A, Soares, C.M, Pohl, J, Carrondo, M.A, Henriques, A.O, Archer, M.
Deposit date:2014-04-07
Release date:2015-09-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural and Functional Characterization of an Ancient Bacterial Transglutaminase Sheds Light on the Minimal Requirements for Protein Cross-Linking.
Biochemistry, 54, 2015
5NA4
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BU of 5na4 by Molmil
NADH:quinone oxidoreductase (NDH-II) from Staphylococcus aureus - E172S mutant
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH dehydrogenase-like protein SAOUHSC_00878
Authors:Brito, J.A, Athayde, D, Sousa, F.M, Sena, F.V, Pereira, M.M, Archer, M.
Deposit date:2017-02-27
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus.
Biochim. Biophys. Acta, 1858, 2017
6H7X
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BU of 6h7x by Molmil
First X-ray structure of full-length human RuvB-Like 2.
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Silva, S, Brito, J.A, Matias, P, Bandeiras, T.
Deposit date:2018-07-31
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.892 Å)
Cite:X-ray structure of full-length human RuvB-Like 2 - mechanistic insights into coupling between ATP binding and mechanical action.
Sci Rep, 8, 2018
4YM9
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BU of 4ym9 by Molmil
Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the novel inhibitor JM102
Descriptor: 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide, ACETATE ION, Chymotrypsin-like elastase family member 1, ...
Authors:Hofbauer, S, Brito, J.A, Mulchande, J, Nogly, P, Pessanha, M, Moreira, R, Archer, M.
Deposit date:2015-03-06
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Clickable 4-Oxo-beta-lactam-Based Selective Probing for Human Neutrophil Elastase Related Proteomes.
ChemMedChem, 11, 2016
7QZR
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BU of 7qzr by Molmil
Structure of native leukocyte myeloperoxidase in complex with the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Pfanzagl, V, Brito, J.A.
Deposit date:2022-01-31
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The staphylococcal inhibitory protein SPIN binds to human myeloperoxidase with picomolar affinity but only dampens halide oxidation.
J.Biol.Chem., 298, 2022
8A56
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BU of 8a56 by Molmil
Coenzyme A-persulfide reductase (CoAPR) from Enterococcus faecalis
Descriptor: 1,2-ETHANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Coenzyme A-persulfide reductase, ...
Authors:Costa, S.S, Walsh, B.J, Giedroc, D.P, Brito, J.A.
Deposit date:2022-06-14
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Metabolic and Structural Insights into Hydrogen Sulfide Mis-Regulation in Enterococcus faecalis.
Antioxidants, 11, 2022

 

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