7Z5O
 
 | | W-formate dehydrogenase from Desulfovibrio vulgaris - Dithionite 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: | Mota, C, Oliveira, A.R, Klymanska, K, Pereira, I.C, Romao, M.J. | | Deposit date: | 2022-03-09 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.527 Å) | | Cite: | Spectroscopic and Structural Characterization of Reduced Desulfovibrio vulgaris Hildenborough W-FdhAB Reveals Stable Metal Coordination during Catalysis.
Acs Chem.Biol., 17, 2022
|
|
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
|
|
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
|
|
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
|
|
8PVZ
 | |
8PVT
 | |
8PW0
 | |
5HVA
 | | Crystal structure of DR2231 in complex with dUMPNPP and magnesium. | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DR2231, MAGNESIUM ION | | Authors: | Mota, C.S, Goncalves, A.M.D, de Sanctis, D. | | Deposit date: | 2016-01-28 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Deinococcus radiodurans DR2231 is a two-metal-ion mechanism hydrolase with exclusive activity on dUTP.
FEBS J., 283, 2016
|
|
5HZZ
 | |
5HX1
 | |
5HYL
 | | Crystal structure of DR2231_E47A mutant in complex with dUMPNPP and magnesium | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DR2231, MAGNESIUM ION | | Authors: | Mota, C.S, Goncalves, A.M.D, de Sanctis, D. | | Deposit date: | 2016-02-01 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Deinococcus radiodurans DR2231 is a two-metal-ion mechanism hydrolase with exclusive activity on dUTP.
FEBS J., 283, 2016
|
|
5I0J
 | |
5I0M
 | |
5HWU
 | | Crystal Structure of DR2231_E46A mutant in complex with dUMPNPP and Manganese | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DR2231, GLYCEROL, ... | | Authors: | Mota, C.S, Goncalves, A.M.D, de Sanctis, D. | | Deposit date: | 2016-01-29 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Deinococcus radiodurans DR2231 is a two-metal-ion mechanism hydrolase with exclusive activity on dUTP.
FEBS J., 283, 2016
|
|
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 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement
Chem Sci, 2024
|
|
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 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement
Chem Sci, 2024
|
|
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 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement
Chem Sci, 2024
|
|
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 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement
Chem Sci, 2024
|
|
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 | | Method: | X-RAY DIFFRACTION (1.664 Å) | | Cite: | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement
Chem Sci, 2024
|
|
5CSB
 | | The crystal structure of beta2-microglobulin D76N mutant at room temperature | | Descriptor: | Beta-2-microglobulin | | Authors: | de Rosa, M, Mota, C.S, de Sanctis, D, Bolognesi, M, Ricagno, S. | | Deposit date: | 2015-07-23 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.719 Å) | | Cite: | Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
|
|
5CS7
 | | The crystal structure of wt beta2-microglobulin at room temperature | | Descriptor: | Beta-2-microglobulin | | Authors: | de Rosa, M, Mota, C.S, de Sanctis, D, Bolognesi, M, Ricagno, S. | | Deposit date: | 2015-07-23 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
|
|
6SDV
 | | 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
 | | 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
|
|
7PX0
 | |
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
|
|
