1SIJ
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![BU of 1sij by Molmil](/molmil-images/mine/1sij) | Crystal structure of the Aldehyde Dehydrogenase (a.k.a. AOR or MOP) of Desulfovibrio gigas covalently bound to [AsO3]- | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ARSENITE, Aldehyde oxidoreductase, ... | Authors: | Boer, D.R, Thapper, A, Brondino, C.D, Romao, M.J, Moura, J.J.G. | Deposit date: | 2004-03-01 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray Crystal Structure and EPR Spectra of "Arsenite-Inhibited" Desulfovibriogigas Aldehyde Dehydrogenase: A Member of the Xanthine Oxidase Family J.Am.Chem.Soc., 126, 2004
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1VLB
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![BU of 1vlb by Molmil](/molmil-images/mine/1vlb) | STRUCTURE REFINEMENT OF THE ALDEHYDE OXIDOREDUCTASE FROM DESULFOVIBRIO GIGAS AT 1.28 A | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, CHLORIDE ION, ... | Authors: | Rebelo, J.M, Dias, J.M, Huber, R, Moura, J.J.G, Romao, M.J. | Deposit date: | 2004-07-20 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structure refinement of the aldehyde oxidoreductase from Desulfovibrio gigas (MOP) at 1.28 A J.Biol.Inorg.Chem., 6, 2001
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7OPN
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![BU of 7opn by Molmil](/molmil-images/mine/7opn) | Human Aldehyde Oxidase SNP R1231H in complex with Raloxifene | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Aldehyde oxidase, DIMETHYL SULFOXIDE, ... | Authors: | Mota, C, Coelho, C, Santos Silva, T, Romao, M.J. | Deposit date: | 2021-06-01 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case. J.Med.Chem., 64, 2021
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7ORC
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![BU of 7orc by Molmil](/molmil-images/mine/7orc) | Human Aldehyde Oxidase in complex with Raloxifene | Descriptor: | Aldehyde oxidase, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Mota, C, Coelho, C, Santos Silva, T, Romao, M.J. | Deposit date: | 2021-06-05 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case. J.Med.Chem., 64, 2021
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6QKN
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![BU of 6qkn by Molmil](/molmil-images/mine/6qkn) | Structure of the azide-inhibited form of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae | Descriptor: | AZIDE ION, CALCIUM ION, Cytochrome-c peroxidase, ... | Authors: | Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C. | Deposit date: | 2019-01-29 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae To Be Published
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1Y07
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![BU of 1y07 by Molmil](/molmil-images/mine/1y07) | Crystal structure of the superoxide reductase from Treponema pallidum | Descriptor: | FE (III) ION, MAGNESIUM ION, desulfoferrodoxin (rbo) | Authors: | Santos-Silva, T, Trincao, J, Carvalho, A.L, Bonifacio, C, Auchere, F, Moura, J, Romao, M.J. | Deposit date: | 2004-11-15 | Release date: | 2005-11-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The first crystal structure of class III superoxide reductase from Treponema pallidum. J.Biol.Inorg.Chem., 11, 2006
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1Z1N
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![BU of 1z1n by Molmil](/molmil-images/mine/1z1n) | |
1RZ6
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![BU of 1rz6 by Molmil](/molmil-images/mine/1rz6) | Di-haem Cytochrome c Peroxidase, Form IN | Descriptor: | CITRIC ACID, Cytochrome c peroxidase, HEME C | Authors: | Dias, J.M, Alves, T, Bonifacio, C, Pereira, A, Bourgeois, D, Moura, I, Romao, M.J. | Deposit date: | 2003-12-24 | Release date: | 2004-06-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the mechanism of Ca(2+) activation of the di-heme cytochrome c peroxidase from Pseudomonas nautica 617. Structure, 12, 2004
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1RZ5
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![BU of 1rz5 by Molmil](/molmil-images/mine/1rz5) | Di-haem Cytochrome c Peroxidase, Form OUT | Descriptor: | CALCIUM ION, Cytochrome c peroxidase, HEME C | Authors: | Dias, J.M, Alves, T, Bonifacio, C, Pereira, A.S, Bourgeois, D, Moura, I, Romao, M.J. | Deposit date: | 2003-12-24 | Release date: | 2004-06-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the mechanism of Ca(2+) activation of the di-heme cytochrome c peroxidase from Pseudomonas nautica 617. Structure, 12, 2004
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3ERX
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![BU of 3erx by Molmil](/molmil-images/mine/3erx) | High-resolution structure of Paracoccus pantotrophus pseudoazurin | Descriptor: | COPPER (II) ION, Pseudoazurin, SULFATE ION | Authors: | Najmudin, S, Pauleta, S.R, Moura, I, Romao, M.J. | Deposit date: | 2008-10-03 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The 1.4 A resolution structure of Paracoccus pantotrophus pseudoazurin. Acta Crystallogr.,Sect.F, 66, 2010
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3FAH
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![BU of 3fah by Molmil](/molmil-images/mine/3fah) | Glycerol inhibited form of Aldehyde oxidoreductase from Desulfovibrio gigas | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), Aldehyde oxidoreductase, CHLORIDE ION, ... | Authors: | Santos-Silva, T, Romao, M.J. | Deposit date: | 2008-11-17 | Release date: | 2009-10-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Kinetic, structural, and EPR studies reveal that aldehyde oxidoreductase from Desulfovibrio gigas does not need a sulfido ligand for catalysis and give evidence for a direct Mo-C interaction in a biological system. J.Am.Chem.Soc., 131, 2009
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3FC4
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![BU of 3fc4 by Molmil](/molmil-images/mine/3fc4) | Ethylene glycol inhibited form of Aldehyde oxidoreductase from Desulfovibrio gigas | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), 1,2-ETHANEDIOL, Aldehyde oxidoreductase, ... | Authors: | Santos-Silva, T, Romao, M.J. | Deposit date: | 2008-11-21 | Release date: | 2009-10-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Kinetic, structural, and EPR studies reveal that aldehyde oxidoreductase from Desulfovibrio gigas does not need a sulfido ligand for catalysis and give evidence for a direct Mo-C interaction in a biological system. J.Am.Chem.Soc., 131, 2009
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1DCD
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![BU of 1dcd by Molmil](/molmil-images/mine/1dcd) | DESULFOREDOXIN COMPLEXED WITH CD2+ | Descriptor: | CADMIUM ION, PROTEIN (DESULFOREDOXIN) | Authors: | Archer, M, Carvalho, A.L, Teixeira, S, Romao, M.J. | Deposit date: | 1999-03-20 | Release date: | 1999-07-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies by X-ray diffraction on metal substituted desulforedoxin, a rubredoxin-type protein. Protein Sci., 8, 1999
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7ZS8
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![BU of 7zs8 by Molmil](/molmil-images/mine/7zs8) | Mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae at 1.4 Angstrom resolution | Descriptor: | CALCIUM ION, Cytochrome-c peroxidase, HEME C, ... | Authors: | Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C. | Deposit date: | 2022-05-06 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Characterization of Neisseria gonorrhoeae Bacterial Peroxidase-Insights into the Catalytic Cycle of Bacterial Peroxidases. Int J Mol Sci, 24, 2023
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2C4X
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![BU of 2c4x by Molmil](/molmil-images/mine/2c4x) | Structural basis for the promiscuous specificity of the carbohydrate- binding modules from the beta-sandwich super family | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ENDOGLUCANASE | Authors: | Najmudin, S, Guerreiro, C.I.P.D, Carvalho, A.L, Bolam, D.N, Prates, J.A.M, Correia, M.A.S, Alves, V.D, Ferreira, L.M.A, Romao, M.J, Gilbert, H.J, Fontes, C.M.G.A. | Deposit date: | 2005-10-25 | Release date: | 2005-10-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Xyloglucan is Recognized by Carbohydrate-Binding Modules that Interact with Beta-Glucan Chains. J.Biol.Chem., 281, 2006
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2C26
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![BU of 2c26 by Molmil](/molmil-images/mine/2c26) | Structural basis for the promiscuous specificity of the carbohydrate- binding modules from the beta-sandwich super family | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ENDOGLUCANASE | Authors: | Najmudin, S, Guerreiro, C.I.P.D, Carvalho, A.L, Bolam, D.N, Prates, J.A.M, Correia, M.A.S, Alves, V.D, Ferreira, L.M.A, Romao, M.J, Gilbert, H.J, Fontes, C.M.G.A. | Deposit date: | 2005-09-26 | Release date: | 2005-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Xyloglucan is Recognized by Carbohydrate-Binding Modules that Interact with Beta-Glucan Chains. J.Biol.Chem., 281, 2006
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8BQK
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![BU of 8bqk by Molmil](/molmil-images/mine/8bqk) | W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 22 min | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2022-11-21 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.587 Å) | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation. Int J Mol Sci, 24, 2022
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8BQJ
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![BU of 8bqj by Molmil](/molmil-images/mine/8bqj) | W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 5 min | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2022-11-21 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.107 Å) | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation. Int J Mol Sci, 24, 2022
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8BQL
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![BU of 8bql by Molmil](/molmil-images/mine/8bql) | W-formate dehydrogenase from Desulfovibrio vulgaris - Co-crystallized with Formate and Reoxidized by exposure to air for 12 min | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Formate dehydrogenase, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2022-11-21 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.906 Å) | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation. Int J Mol Sci, 24, 2022
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8BQG
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![BU of 8bqg by Molmil](/molmil-images/mine/8bqg) | W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 1 min | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2022-11-21 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.946 Å) | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation. Int J Mol Sci, 24, 2022
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8BQI
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![BU of 8bqi by Molmil](/molmil-images/mine/8bqi) | W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 3 min | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2022-11-21 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.356 Å) | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation. Int J Mol Sci, 24, 2022
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8BQH
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![BU of 8bqh by Molmil](/molmil-images/mine/8bqh) | W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 1.5 min | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2022-11-21 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation. Int J Mol Sci, 24, 2022
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8CH9
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![BU of 8ch9 by Molmil](/molmil-images/mine/8ch9) | Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenic oxyanion | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ARSENATE, ... | Authors: | Engrola, F, Correia, M.A.S, Romao, M.J, Santos-Silva, T. | Deposit date: | 2023-02-07 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenic oxyanion To Be Published
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2JIP
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![BU of 2jip by Molmil](/molmil-images/mine/2jip) | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-28 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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2JIO
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![BU of 2jio by Molmil](/molmil-images/mine/2jio) | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-28 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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