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4UWV
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BU of 4uwv by Molmil
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
4UWU
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BU of 4uwu by Molmil
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
4UWN
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BU of 4uwn by Molmil
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
4US8
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BU of 4us8 by Molmil
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
4USA
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BU of 4usa by Molmil
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
4US9
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BU of 4us9 by Molmil
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
6YIR
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BU of 6yir by Molmil
Crystal structure of Bacillus subtilis MsmX ATPase
Descriptor: Oligosaccharides import ATP-binding protein MsmX, SULFATE ION, TRIETHYLENE GLYCOL
Authors:Leisico, F, Santos-Silva, T, Romao, M.J.
Deposit date:2020-04-01
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Multitask ATPases (NBDs) of bacterial ABC importers type I and their interspecies exchangeability.
Sci Rep, 10, 2020
4UHW
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BU of 4uhw by Molmil
Human aldehyde oxidase
Descriptor: ALDEHYDE OXIDASE, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Coelho, C, Romao, M.J, Santos-Silva, T.
Deposit date:2015-03-26
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insights Into Xenobiotic and Inhibitor Binding to Human Aldehyde Oxidase
Nat.Chem.Biol., 11, 2015
4UHX
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BU of 4uhx by Molmil
Human aldehyde oxidase in complex with phthalazine and thioridazine
Descriptor: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, 10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ALDEHYDE OXIDASE, ...
Authors:Coelho, C, Romao, M.J, Santos-Silva, T.
Deposit date:2015-03-26
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Insights Into Xenobiotic and Inhibitor Binding to Human Aldehyde Oxidase
Nat.Chem.Biol., 11, 2015
6Q6Q
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BU of 6q6q by Molmil
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
5N9M
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BU of 5n9m by Molmil
Crystal structure of GatD - a glutamine amidotransferase from Staphylococcus aureus involved in peptidoglycan amidation
Descriptor: Cobyric acid synthase, GLUTAMINE, TETRAETHYLENE GLYCOL
Authors:Leisico, F, Vieira, D, Romao, M.R, Trincao, J, Santos-Silva, T.
Deposit date:2017-02-25
Release date:2018-03-14
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:First insights of peptidoglycan amidation in Gram-positive bacteria - the high-resolution crystal structure of Staphylococcus aureus glutamine amidotransferase GatD.
Sci Rep, 8, 2018
5EPG
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BU of 5epg by Molmil
Human aldehyde oxidase SNP S1271L
Descriptor: Aldehyde oxidase, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Coelho, C, Romao, M.J, Santos-Silva, T.
Deposit date:2015-11-11
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Optimization of the Expression of Human Aldehyde Oxidase for Investigations of Single-Nucleotide Polymorphisms.
Drug Metab.Dispos., 44, 2016
3KMV
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BU of 3kmv by Molmil
Crystal structure of CBM42A from Clostridium thermocellum
Descriptor: ACETATE ION, Alpha-L-arabinofuranosidase B, CALCIUM ION, ...
Authors:Santos-Silva, T, Alves, V.D, Prates, J.A.M, Fontes, C.M.G.A, Romao, M.J.
Deposit date:2009-11-11
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Family 42 carbohydrate-binding modules display multiple arabinoxylan-binding interfaces presenting different ligand affinities.
Biochim.Biophys.Acta, 1804, 2010
5NQD
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BU of 5nqd by Molmil
Arsenite oxidase AioAB from Rhizobium sp. str. NT-26 mutant AioBF108A
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, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
Authors:Santos-Silva, T, Romao, M, Vieira, M, Marques, A.T.
Deposit date:2017-04-20
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Arsenite oxidase AioAB from Rhizobium sp. str. NT-26 mutant AioBF108A
To Be Published
5MY5
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BU of 5my5 by Molmil
Tungstate binding protein - TupA - from Desulfovibrio alaskensis G20
Descriptor: ABC transporter periplasmic substrate-binding protein, CHLORIDE ION, SODIUM ION
Authors:Otrelo-Cardoso, A.R, Correia, M.A.S.C, Santos-Silva, T.
Deposit date:2017-01-25
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Highly selective tungstate transporter protein TupA from Desulfovibrio alaskensis G20.
Sci Rep, 7, 2017
5A12
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BU of 5a12 by Molmil
Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with azide
Descriptor: AZIDE ION, CHLORITE DISMUTASE, GLYCEROL, ...
Authors:Correia, H.D, Santos-Silva, T.
Deposit date:2015-04-27
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp.
J.Phys.Chem.B, 119, 2015
5A13
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BU of 5a13 by Molmil
Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with thiocyanate
Descriptor: CHLORITE DISMUTASE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Correia, H.D, Santos-Silva, T.
Deposit date:2015-04-27
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp.
J.Phys.Chem.B, 119, 2015
5G5H
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BU of 5g5h by Molmil
Escherichia coli Periplasmic Aldehyde Oxidase R440H mutant
Descriptor: ACETATE ION, Aldehyde oxidoreductase FAD-binding subunit PaoB, Aldehyde oxidoreductase iron-sulfur-binding subunit PaoA, ...
Authors:Correia, M.A.S, Otrelo-Cardoso, A.R, Romao, M.J, Santos-Silva, T.
Deposit date:2016-05-25
Release date:2016-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Escherichia Coli Periplasmic Aldehyde Oxidoreductase is an Exceptional Member of the Xanthine Oxidase Family of Molybdoenzymes.
Acs Chem.Biol., 11, 2016
5G5G
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BU of 5g5g by Molmil
Escherichia coli Periplasmic Aldehyde Oxidase
Descriptor: ACETATE ION, CHLORIDE ION, DIOXOTHIOMOLYBDENUM(VI) ION, ...
Authors:Correia, M.A.S, Otrelo-Cardoso, A.R, Romao, M.J, Santos-Silva, T.
Deposit date:2016-05-25
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Escherichia Coli Periplasmic Aldehyde Oxidoreductase is an Exceptional Member of the Xanthine Oxidase Family of Molybdoenzymes.
Acs Chem.Biol., 11, 2016
7ORC
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BU of 7orc by Molmil
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
7OPN
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BU of 7opn by Molmil
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
6SDV
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BU of 6sdv by Molmil
W-formate dehydrogenase from Desulfovibrio vulgaris - Formate reduced form
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, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ...
Authors:Oliveira, A.R, Mota, C, Mourato, C, Domingos, R.M, Santos, M.F.A, Gesto, D, Guigliarelli, B, Santos-Silva, T, Romao, M.J, Pereira, I.C.
Deposit date:2019-07-29
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Towards the mechanistic understanding of enzymatic CO2 reduction
Acs Catalysis, 2020
6SDR
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BU of 6sdr by Molmil
W-formate dehydrogenase from Desulfovibrio vulgaris - Oxidized form
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, Formate dehydrogenase, alpha subunit, ...
Authors:Oliveira, A.R, Mota, C, Mourato, C, Domingos, R.M, Santos, M.F.A, Gesto, D, Guigliarelli, B, Santos-Silva, T, Romao, M.J, Pereira, I.C.
Deposit date:2019-07-29
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Towards the mechanistic understanding of enzymatic CO2 reduction
Acs Catalysis, 2020
8CGS
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BU of 8cgs by Molmil
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
8CFF
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BU of 8cff by Molmil
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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