8B6D
 
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8B31
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6R62
 | | Crystal structure of a class II pyruvate aldolase from Sphingomonas wittichii RW1 in complex with hydroxypyruvate | | Descriptor: | 3-HYDROXYPYRUVIC ACID, ACETATE ION, BROMIDE ION, ... | | Authors: | Marsden, S.R, Mestrom, L, Hagedoorn, P.L, Bento, I, McMillan, D.G.G, Hanefeld, U. | | Deposit date: | 2019-03-26 | | Release date: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | CH-Pi Interactions Promote the Conversion of Hydroxypyruvate in a Class II Pyruvate Aldolase
Adv.Synth.Catal., 2019
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2H5U
 | | Crystal structure of laccase from Cerrena maxima at 1.9A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lyashenko, A.V, Gabdoulkhakov, A.G, Zaitsev, V.N, Lamzin, V.S, Lindley, P.F, Bento, I, Betzel, C, Zhukhlistova, N.E, Zhukova, Y.N, Mikhailov, A.M. | | Deposit date: | 2006-05-27 | | Release date: | 2007-05-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Purification, crystallization and preliminary X-ray study of the fungal laccase from Cerrena maxima
Acta Crystallogr.,Sect.F, 62, 2006
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7O5R
 | | Crystal structure of holo-SwHPA-Mn (hydroxyketoacid aldolase) from Sphingomonas wittichii RW1 | | Descriptor: | BROMIDE ION, MANGANESE (II) ION, POTASSIUM ION, ... | | Authors: | Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | | Deposit date: | 2021-04-09 | | Release date: | 2022-10-26 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
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2X8S
 | | Crystal Structure of the Abn2 D171A mutant in complex with arabinotriose | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | deSanctis, D, Inacio, J.M, Lindley, P.F, de Sa-Nogueira, I, Bento, I. | | Deposit date: | 2010-03-11 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | New Evidence for the Role of Calcium in the Glycosidase Reaction of Gh43 Arabinanases.
FEBS J., 277, 2010
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2X8T
 | | Crystal Structure of the Abn2 H318A mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | deSanctis, D, Inacio, J.M, Lindley, P.F, de Sa-Nogueira, I, Bento, I. | | Deposit date: | 2010-03-11 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | New Evidence for the Role of Calcium in the Glycosidase Reaction of Gh43 Arabinanases.
FEBS J., 277, 2010
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2X8F
 | | Native structure of Endo-1,5-alpha-L-arabinanases from Bacillus subtilis | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | de Sanctis, D, Inacio, J.M, Lindley, P.F, de Sa-Nogueira, I, Bento, I. | | Deposit date: | 2010-03-09 | | Release date: | 2011-03-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | New Evidence for the Role of Calcium in the Glycosidase Reaction of Gh43 Arabinanases.
FEBS J., 277, 2010
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7NR1
 | | Crystal structure of holo-S116A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1 | | Descriptor: | HpcH/HpaI aldolase, MAGNESIUM ION | | Authors: | Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | | Deposit date: | 2021-03-02 | | Release date: | 2022-09-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7NUJ
 | | Crystal structure of holo-SwHPA-Mg (hydroxy ketone aldolase) from Sphingomonas wittichii RW1 | | Descriptor: | HpcH/HpaI aldolase, MAGNESIUM ION | | Authors: | Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | | Deposit date: | 2021-03-12 | | Release date: | 2022-09-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7NNK
 | | Crystal structure of S116A mutant of hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1 in complex with hydroxypyruvate | | Descriptor: | 3-HYDROXYPYRUVIC ACID, HpcH/HpaI aldolase, MAGNESIUM ION | | Authors: | Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | | Deposit date: | 2021-02-25 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7O87
 | | Crystal structure of holo-F210W mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1 in complex with hydroxypyruvate | | Descriptor: | 3-HYDROXYPYRUVIC ACID, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | | Deposit date: | 2021-04-14 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7O5W
 | | Crystal structure of holo-F210W mutant of Hydroxy ketone aldolase (SwHKA)from Sphingomonas wittichii RW1 | | Descriptor: | BROMIDE ION, DI(HYDROXYETHYL)ETHER, HpcH/HpaI aldolase, ... | | Authors: | Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | | Deposit date: | 2021-04-09 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7O9R
 | | Crystal structure of holo-H44A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1 | | Descriptor: | BROMIDE ION, DI(HYDROXYETHYL)ETHER, HpcH/HpaI aldolase, ... | | Authors: | Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | | Deposit date: | 2021-04-16 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7OBU
 | | Crystal structure of holo-F210W mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1, with the active site in the resting and the active state | | Descriptor: | 3-HYDROXYPYRUVIC ACID, HpcH/HpaI aldolase, MAGNESIUM ION, ... | | Authors: | Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | | Deposit date: | 2021-04-23 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7O5I
 | | Crystal structure of apo-SwHKA (Hydroxy ketone aldolase) from Sphingomonas wittichii RW1 | | Descriptor: | BROMIDE ION, DI(HYDROXYETHYL)ETHER, HpcH/HpaI aldolase, ... | | Authors: | Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | | Deposit date: | 2021-04-08 | | Release date: | 2022-11-16 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7O5V
 | | Crystal structure of holo-H44A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1, in complex with Hydroxypyruvate | | Descriptor: | 3-HYDROXYPYRUVIC ACID, BROMIDE ION, HpcH/HpaI aldolase, ... | | Authors: | Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | | Deposit date: | 2021-04-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
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4COT
 | | The importance of the Abn2 calcium cluster in the endo-1,5- arabinanase activity from Bacillus subtilis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EXTRACELLULAR ENDO-ALPHA-(1->5)-L-ARABINANASE 2, NICKEL (II) ION | | Authors: | McVey, C.E, Ferreira, M.J, Correia, B, Lahiri, S, deSanctis, D, Carrondo, M.A, Lindley, P.F, de Sa-Nogueira, I, Soares, C.M, Bento, I. | | Deposit date: | 2014-01-31 | | Release date: | 2014-03-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Importance of the Abn2 Calcium Cluster in the Endo-1,5-Arabinanase Activity from Bacillus Subtilis.
J.Biol.Inorg.Chem., 19, 2014
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7Q52
 | | Crystal structure of S/T protein kinase PknG from Mycobacterium tuberculosis in complex with inhibitor L2W | | Descriptor: | 2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide, FE (III) ION, SODIUM ION, ... | | Authors: | Defelipe, L.A, Burastero, O, Bento, I, Garcia-Alai, M.M. | | Deposit date: | 2021-11-02 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.
J.Med.Chem., 65, 2022
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2WSD
 | | Proximal mutations at the type 1 Cu site of CotA-laccase: I494A mutant | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, OXYGEN MOLECULE, ... | | Authors: | Silva, C.S, Durao, P, Chen, Z, Soares, C.M, Pereira, M.M, Todorovic, S, Hildebrandt, P, Martins, L.O, Lindley, P.F, Bento, I. | | Deposit date: | 2009-09-04 | | Release date: | 2010-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Proximal Mutations at the Type 1 Copper Site of Cota Laccase: Spectroscopic, Redox, Kinetic and Structural Characterization of I494A and L386A Mutants.
Biochem.J., 412, 2008
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3ZX1
 | | Multicopper oxidase from Campylobacter jejuni: a metallo-oxidase | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, OXIDOREDUCTASE, ... | | Authors: | Silva, C.S, Durao, P, Fillat, A, Lindley, P.F, Martins, L.O, Bento, I. | | Deposit date: | 2011-08-04 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of the Multicopper Oxidase from the Pathogenic Bacterium Campylobacter Jejuni Cgug11284: Characterization of a Metallo-Oxidase.
Metallomics, 4, 2012
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4AKQ
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: E498D mutant | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, OXYGEN MOLECULE, ... | | Authors: | Silva, C.S, Chen, Z, Durao, P, Pereira, M.M, Todorovic, S, Hildebrandt, P, Martins, L.O, Lindley, P.F, Bento, I. | | Deposit date: | 2012-02-28 | | Release date: | 2012-03-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Role of Glu498 in the Dioxygen Reactivity of Cota-Laccase from Bacillus Subtilis.
Dalton Trans, 39, 2010
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4AKP
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: E498T mutant | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, OXYGEN MOLECULE, ... | | Authors: | Silva, C.S, Chen, Z, Durao, P, Pereira, M.M, Todorovic, S, Hildebrandt, P, Martins, L.O, Lindley, P.F, Bento, I. | | Deposit date: | 2012-02-28 | | Release date: | 2012-03-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Role of Glu498 in the Dioxygen Reactivity of Cota-Laccase from Bacillus Subtilis.
Dalton Trans, 39, 2010
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4A67
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: D116E mutant | | Descriptor: | COPPER (II) ION, PEROXIDE ION, SPORE COAT PROTEIN A | | Authors: | Silva, C.S, Lindley, P.F, Bento, I. | | Deposit date: | 2011-10-31 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism
Acta Crystallogr.,Sect.D, 68, 2012
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4A68
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: D116N mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, ... | | Authors: | Silva, C.S, Lindley, P.F, Bento, I. | | Deposit date: | 2011-10-31 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism
Acta Crystallogr.,Sect.D, 68, 2012
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