1NBA
 
 | | CRYSTAL STRUCTURE ANALYSIS, REFINEMENT AND ENZYMATIC REACTION MECHANISM OF N-CARBAMOYLSARCOSINE AMIDOHYDROLASE FROM ARTHROBACTER SP. AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | N-CARBAMOYLSARCOSINE AMIDOHYDROLASE, SULFATE ION | | Authors: | Romao, M.J, Turk, D, Gomis-Ruth, F.-Z, Huber, R, Schumacher, G, Mollering, H, Russmann, L. | | Deposit date: | 1992-05-18 | | Release date: | 1994-06-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure analysis, refinement and enzymatic reaction mechanism of N-carbamoylsarcosine amidohydrolase from Arthrobacter sp. at 2.0 A resolution.
J.Mol.Biol., 226, 1992
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1SFP
 | | CRYSTAL STRUCTURE OF ACIDIC SEMINAL FLUID PROTEIN (ASFP) AT 1.9 A RESOLUTION: A BOVINE POLYPEPTIDE FROM THE SPERMADHESIN FAMILY | | Descriptor: | ASFP | | Authors: | Romao, M.J, Kolln, I, Dias, J.M, Carvalho, A.L, Romero, A, Varela, P.F, Sanz, L, Topfer-Petersen, E, Calvete, J.J. | | Deposit date: | 1997-06-24 | | Release date: | 1998-06-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structures of two spermadhesins reveal the CUB domain fold.
Nat.Struct.Biol., 4, 1997
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2XJW
 | | Lysozyme-CO releasing molecule adduct | | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, LYSOZYME C, ... | | Authors: | Santos-Silva, T, Mukhopadhyay, A, Romao, M.J. | | Deposit date: | 2010-07-06 | | Release date: | 2011-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Corm-3 Reactivity Toward Proteins: The Crystal Structure of a Ru(II) Dicarbonyl-Lysozyme Complex.
J.Am.Chem.Soc., 133, 2011
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4UWV
 | | Lysozyme soaked with a ruthenium based CORM with a pyridine ligand (complex 8) | | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, LYSOZYME C, ... | | Authors: | Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T. | | Deposit date: | 2014-08-14 | | Release date: | 2014-12-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015
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4UWU
 | | Lysozyme soaked with a ruthenium based CORM with a pyridine ligand (complex 7) | | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T. | | Deposit date: | 2014-08-14 | | Release date: | 2014-12-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015
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8CCQ
 | | Crystal structure of arsenite oxidase from Pseudorhizobium banfieldiae str. NT-26 (NT-26 Aio) bound to antimony trioxide | | 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, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AroA, ... | | Authors: | Engrola, F, Santos-Silva, T, Romao, M.J, Correia, M.A.S. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism.
J.Biol.Chem., 299, 2023
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8CGS
 | | Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to antimony oxyanion | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ... | | Authors: | Engrola, F, Correia, M.A.S, Romao, M.J, Santos-Silva, T. | | Deposit date: | 2023-02-06 | | Release date: | 2023-07-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism.
J.Biol.Chem., 299, 2023
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8CFF
 | | Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenite | | 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, ARSENITE, ... | | Authors: | Engrola, F, Correia, M.A.S, Romao, M.J, Santos-Silva, T. | | Deposit date: | 2023-02-03 | | Release date: | 2023-07-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism.
J.Biol.Chem., 299, 2023
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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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4UWN
 | | Lysozyme soaked with a ruthenium based CORM with a methione oxide ligand (complex 6b) | | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T. | | Deposit date: | 2014-08-13 | | Release date: | 2014-12-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015
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4USA
 | | Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with trans-cinnamaldehyde | | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ... | | Authors: | Correia, H.D, Romao, M.J, Santos-Silva, T. | | Deposit date: | 2014-07-03 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction.
J.Biol.Inorg.Chem., 20, 2015
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1GVZ
 | | Prostate Specific Antigen (PSA) from stallion seminal plasma | | Descriptor: | ACETATE ION, GLYCEROL, KALLIKREIN-1E2 | | Authors: | Carvalho, A.L, Sanz, L, Barettino, D, Romero, A, Calvete, J.J, Romao, M.J. | | Deposit date: | 2002-02-28 | | Release date: | 2002-09-12 | | Last modified: | 2011-09-21 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystal Structure of a Prostate Kallikrein Isolated from Stallion Seminal Plasma: A Homologue of Human Psa
J.Mol.Biol., 322, 2002
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8RCG
 | | W-formate dehydrogenase M405S from Desulfovibrio vulgaris | | 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, Manuel, R.R, Pereira, I.C, Romao, M.J, Mota, C. | | Deposit date: | 2023-12-06 | | Release date: | 2024-05-08 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Structural and biochemical characterization of the M405S variant of Desulfovibrio vulgaris formate dehydrogenase.
Acta Crystallogr.,Sect.F, 80, 2024
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8RCB
 | | W-formate dehydrogenase from Desulfovibrio vulgaris - Co-crystallized with Formate and Reoxidized by exposure to air (in a not degassed drop) for 34 min in the presence of Formate | | 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, Manuel, R.R, Pereira, I.C, Romao, M.J, Mota, C. | | Deposit date: | 2023-12-06 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement.
Chem Sci, 15, 2024
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8RCC
 | | W-formate dehydrogenase from Desulfovibrio vulgaris - aerobic soaked with 48 bar CO2 for 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, CARBON DIOXIDE, ... | | Authors: | Vilela-Alves, G, Carpentier, P, Manuel, R.R, Pereira, I.C, Romao, M.J, Mota, C. | | Deposit date: | 2023-12-06 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement.
Chem Sci, 15, 2024
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8RC8
 | | W-formate dehydrogenase from Desulfovibrio vulgaris - Co-crystallized with Formate and Exposed to air for 0 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, Manuel, R.R, Pereira, I.C, Romao, M.J, Mota, C. | | Deposit date: | 2023-12-06 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement.
Chem Sci, 15, 2024
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8RCA
 | | W-formate dehydrogenase from Desulfovibrio vulgaris - Co-crystallized with Formate and Reoxidized by exposure to air for 1 h in the absence of Formate | | 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, Manuel, R.R, Pereira, I.C, Romao, M.J, Mota, C. | | Deposit date: | 2023-12-06 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.664 Å) | | Cite: | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement.
Chem Sci, 15, 2024
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8RC9
 | | W-formate dehydrogenase from Desulfovibrio vulgaris - Co-crystallized with Formate and Exposed to air for 2 h | | 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, Manuel, R.R, Pereira, I.C, Romao, M.J, Mota, C. | | Deposit date: | 2023-12-06 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement.
Chem Sci, 15, 2024
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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
 | | 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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4US8
 | | Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with benzaldehyde | | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ... | | Authors: | Correia, H.D, Romao, M.J, Santos-Silva, T. | | Deposit date: | 2014-07-03 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction.
J.Biol.Inorg.Chem., 20, 2015
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4US9
 | | Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with 3- phenylpropionaldehyde | | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), 3-PHENYLPROPANAL, ALDEHYDE OXIDOREDUCTASE, ... | | Authors: | Correia, H.D, Romao, M.J, Santos-Silva, T. | | Deposit date: | 2014-07-03 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction.
J.Biol.Inorg.Chem., 20, 2015
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6Q6Q
 | | Human aldehyde oxidase SNP G1269R | | Descriptor: | Aldehyde oxidase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mota, C, Coelho, C, Santos-Silva, T, Romao, M.J. | | Deposit date: | 2018-12-11 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.10003781 Å) | | Cite: | Human aldehyde oxidase (hAOX1): structure determination of the Moco-free form of the natural variant G1269R and biophysical studies of single nucleotide polymorphisms.
Febs Open Bio, 9, 2019
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6YIR
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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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