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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4AKO
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: E498L 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 (1.7 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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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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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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4A66
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: D116A mutant | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, PEROXIDE 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 (1.95 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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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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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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8G6P
 | | Crystal structure of Mycobacterium thermoresistibile MurE in complex with ADP and 2,6-Diaminopimelic acid | | Descriptor: | 2,6-DIAMINOPIMELIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Rossini, N.O, Silva, C.S, Dias, M.V.B. | | Deposit date: | 2023-02-15 | | Release date: | 2023-04-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The crystal structure of Mycobacterium thermoresistibile MurE ligase reveals the binding mode of the substrate m-diaminopimelate.
J.Struct.Biol., 215, 2023
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4ZPY
 | | Structure of N170A MVM mutant empty capsid | | Descriptor: | VP1 protein | | Authors: | Guerra, P, Querol-Audi, J, Silva, C, Mateu, M.G, Verdaguer, N. | | Deposit date: | 2015-05-08 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural basis for biologically relevant mechanical stiffening of a virus capsid by cavity-creating or spacefilling mutations.
Sci Rep, 7, 2017
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5ME6
 | | Crystal Structure of eiF4E from C. melo bound to a CAP analog | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic transcription initiation factor 4E | | Authors: | Querol-Audi, J, Silva, C, Miras, M, Aranda-Regules, M, Verdaguer, N. | | Deposit date: | 2016-11-14 | | Release date: | 2017-08-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of eIF4E in Complex with an eIF4G Peptide Supports a Universal Bipartite Binding Mode for Protein Translation.
Plant Physiol., 174, 2017
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5ME7
 | | Crystal Structure of eiF4E from C. melo | | Descriptor: | Eukaryotic transcription initiation factor 4E, GLYCEROL | | Authors: | Querol-Audi, J, Silva, C, Miras, M, Aranda-Regules, M, Verdaguer, N. | | Deposit date: | 2016-11-14 | | Release date: | 2017-08-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of eIF4E in Complex with an eIF4G Peptide Supports a Universal Bipartite Binding Mode for Protein Translation.
Plant Physiol., 174, 2017
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5ME5
 | | Crystal Structure of eiF4E from C. melo bound to a eIF4G peptide | | Descriptor: | Eukaryotic transcription initiation factor 4E, SULFATE ION, eIF4G | | Authors: | Querol-Audi, J, Silva, C, Miras, M, Truniger, V, Aranda-Regules, M, Verdaguer, N. | | Deposit date: | 2016-11-14 | | Release date: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of eIF4E in Complex with an eIF4G Peptide Supports a Universal Bipartite Binding Mode for Protein Translation.
Plant Physiol., 174, 2017
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2X87
 | | Crystal Structure of the reconstituted CotA | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, HYDROXIDE ION, ... | | Authors: | Bento, I, Silva, C.S, Chen, Z, Martins, L.O, Lindley, P.F, Soares, C.M. | | Deposit date: | 2010-03-06 | | Release date: | 2010-09-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanisms Underlying Dioxygen Reduction in Laccases. Structural and Modelling Studies Focusing on Proton Transfer.
Bmc Struct.Biol., 10, 2010
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6GSD
 | | Plantago Major multifunctional oxidoreductase in complex with progesterone and NADP+ | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROGESTERONE, Progesterone 5-beta-reductase | | Authors: | Fellows, R, Silva, C, Russo, C.M, Lee, S.G, Jez, J.M, Chisholm, J.D, Zubieta, C, Nanao, M. | | Deposit date: | 2018-06-14 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A multisubstrate reductase from Plantago major: structure-function in the short chain reductase superfamily.
Sci Rep, 8, 2018
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2X88
 | | Crystal Structure of HoloCotA | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, OXYGEN MOLECULE, ... | | Authors: | Bento, I, Silva, C.S, Chen, Z, Martins, L.O, Lindley, P.F, Soares, C.M. | | Deposit date: | 2010-03-06 | | Release date: | 2010-09-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanisms Underlying Dioxygen Reduction in Laccases. Structural and Modelling Studies Focusing on Proton Transfer.
Bmc Struct.Biol., 10, 2010
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4AWE
 | | The Crystal Structure of Chrysonilia sitophila endo-beta-D-1,4- mannanase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Goncalves, A.M.D, Silva, C.S, De Sanctis, D, Bento, I. | | Deposit date: | 2012-06-01 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Endo-Beta-D-1,4-Mannanase from Chrysonilia Sitophila Displays a Novel Loop Arrangement for Substrate Selectivity
Acta Crystallogr.,Sect.D, 68, 2012
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5A7I
 | | Crystal structure of INPP5B in complex with biphenyl 3,3',4,4',5,5'- hexakisphosphate | | Descriptor: | Biphenyl 3,3',4,4',5,5'-hexakisphosphate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Tresaugues, L, Mills, S.J, Silvander, C, Cozier, G, Potter, B.V.L, Norldund, P. | | Deposit date: | 2015-07-06 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family.
Biochemistry, 55, 2016
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8RXR
 | | Crystal structure of VPS34 in complex with inhibitor SB02024 | | Descriptor: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. | | Deposit date: | 2024-02-07 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 2024
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5A7J
 | | Crystal structure of INPP5B in complex with benzene 1,2,4,5- tetrakisphosphate | | Descriptor: | (2,4,5-triphosphonooxyphenyl) dihydrogen phosphate, GLYCEROL, SULFATE ION, ... | | Authors: | Tresaugues, L, Mills, S.J, Silvander, C, Cozier, G, Potter, B.V.L, Nordlund, P. | | Deposit date: | 2015-07-06 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family.
Biochemistry, 55, 2016
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4CML
 | | Crystal Structure of INPP5B in complex with Phosphatidylinositol 3,4- bisphosphate | | Descriptor: | 1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Flodin, S, Graslund, S, Karlberg, T, Moche, M, Nyman, T, Schuler, H, Silvander, C, Thorsell, A.G, Weigelt, J, Welin, M, Nordlund, P. | | Deposit date: | 2014-01-16 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases.
Structure, 22, 2014
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4CMN
 | | Crystal structure of OCRL in complex with a phosphate ion | | Descriptor: | GLYCEROL, INOSITOL POLYPHOSPHATE 5-PHOSPHATASE OCRL-1, MAGNESIUM ION, ... | | Authors: | Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Flodin, S, Graslund, S, Karlberg, T, Nyman, T, Schuler, H, Silvander, C, Thorsell, A.G, Weigelt, J, Welin, M, Nordlund, P. | | Deposit date: | 2014-01-16 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases.
Structure, 22, 2014
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5NHY
 | | BAY-707 in complex with MTH1 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, SULFATE ION, ... | | Authors: | Ellermann, M, Eheim, A, Giese, A, Bunse, S, Nowak-Reppel, K, Neuhaus, R, Weiske, J, Quanz, M, Glasauer, A, Meyer, H, Queisser, N, Irlbacher, H, Bader, B, Rahm, F, Viklund, J, Andersson, M, Ericsson, U, Ginman, T, Forsblom, R, Lindstrom, J, Silvander, C, Tresaugues, L, Gorjanacz, M. | | Deposit date: | 2017-03-22 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target.
ACS Chem. Biol., 12, 2017
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6F22
 | | Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative) | | Descriptor: | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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6F1X
 | | Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative) | | Descriptor: | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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