2V5Q
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![BU of 2v5q by Molmil](/molmil-images/mine/2v5q) | CRYSTAL STRUCTURE OF WILD-TYPE PLK-1 KINASE DOMAIN IN COMPLEX WITH A SELECTIVE DARPIN | Descriptor: | DESIGN ANKYRIN REPEAT PROTEIN, SERINE/THREONINE-PROTEIN KINASE PLK1 | Authors: | Bandeiras, T.M, Hillig, R.C, Matias, P.M, Eberspaecher, U, Fanghaenel, J, Thomaz, M, Miranda, S, Crusius, K, Puetter, V, Amstutz, P, Gulotti-Georgieva, M, Binz, H.K, Holz, C, Schmitz, A.A.P, Lang, C, Donner, P, Egner, U, Carrondo, M.A, Mueller-Tiemann, B. | Deposit date: | 2007-07-08 | Release date: | 2008-04-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of wild-type Plk-1 kinase domain in complex with a selective DARPin. Acta Crystallogr. D Biol. Crystallogr., 64, 2008
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4BGL
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![BU of 4bgl by Molmil](/molmil-images/mine/4bgl) | Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus | Descriptor: | FE (III) ION, GLYCEROL, SUPEROXIDE REDUCTASE | Authors: | Bandeiras, T.M, Rodrigues, J.V, Sousa, C.M, Barradas, A.R, Pinho, F.G, Pinto, A.F, Teixeira, M, Matias, P.M, Romao, C.V. | Deposit date: | 2013-03-27 | Release date: | 2014-04-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Superoxide Reductase from Giardia Intestinalis: Structural Characterization of the First Sor from a Eukaryotic Organism Shows an Iron Centre that is Highly Sensitive to Photoreduction Acta Crystallogr.,Sect.D, 71, 2015
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4BFF
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![BU of 4bff by Molmil](/molmil-images/mine/4bff) | Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus in the reduced form | Descriptor: | FE (II) ION, SUPEROXIDE REDUCTASE | Authors: | Bandeiras, T.M, Rodrigues, J.V, Sousa, C.M, Barradas, A.R, Pinho, F.G, Pinto, A.F, Teixeira, M, Matias, P.M, Romao, C.V. | Deposit date: | 2013-03-18 | Release date: | 2014-03-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure To be Published
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4C4B
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![BU of 4c4b by Molmil](/molmil-images/mine/4c4b) | Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12V in the reduced form | Descriptor: | 1,2-ETHANEDIOL, FE (II) ION, SUPEROXIDE REDUCTASE | Authors: | Bandeiras, T.M, Rodrigues, J.V, Sousa, C.M, Barradas, A.R, Pinho, F.G, Pinto, A.F, Teixeira, M, Matias, P.M, Romao, C.V. | Deposit date: | 2013-09-03 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure To be Published
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4C4U
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![BU of 4c4u by Molmil](/molmil-images/mine/4c4u) | Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12Q mutant in the reduced form | Descriptor: | FE (II) ION, SUPEROXIDE REDUCTASE | Authors: | Bandeiras, T.M, Rodrigues, J.V, Sousa, C.M, Barradas, A.R, Pinho, F.G, Pinto, A.F, Teixeira, M, Matias, P.M, Romao, C.V. | Deposit date: | 2013-09-09 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.583 Å) | Cite: | Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure To be Published
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4BFJ
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![BU of 4bfj by Molmil](/molmil-images/mine/4bfj) | Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12V mutant | Descriptor: | FE (III) ION, SUPEROXIDE REDUCTASE | Authors: | Bandeiras, T.M, Rodrigues, J.V, Sousa, C.M, Barradas, A.R, Pinho, F.G, Pinto, A.F, Teixeira, M, Matias, P.M, Romao, C.V. | Deposit date: | 2013-03-19 | Release date: | 2014-03-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure To be Published
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4BFK
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![BU of 4bfk by Molmil](/molmil-images/mine/4bfk) | Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12Q mutant | Descriptor: | FE (III) ION, SUPEROXIDE REDUCTASE | Authors: | Bandeiras, T.M, Rodrigues, J.V, Sousa, C.M, Barradas, A.R, Pinho, F.G, Pinto, A.F, Teixeira, M, Matias, P.M, Romao, C.V. | Deposit date: | 2013-03-19 | Release date: | 2014-03-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure To be Published
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5AQ6
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![BU of 5aq6 by Molmil](/molmil-images/mine/5aq6) | Structure of E. coli ZinT at 1.79 Angstrom | Descriptor: | ACETIC ACID, METAL-BINDING PROTEIN ZINT, ZINC ION | Authors: | Santo, P.E, Colaco, H.G, Matias, P, Vicente, J.B, Bandeiras, T.M. | Deposit date: | 2015-09-21 | Release date: | 2016-01-27 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Roles of Escherichia Coli Zint in Cobalt, Mercury and Cadmium Resistance and Structural Insights Into the Metal Binding Mechanism Metallomics, 8, 2016
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2XSZ
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![BU of 2xsz by Molmil](/molmil-images/mine/2xsz) | The dodecameric human RuvBL1:RuvBL2 complex with truncated domains II | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, RUVB-LIKE 1, RUVB-LIKE 2 | Authors: | Gorynia, S, Bandeiras, T.M, Matias, P.M, Pinho, F.G, McVey, C.E, Vonrhein, C, Svergun, D.I, Round, A, Donner, P, Carrondo, M.A. | Deposit date: | 2010-10-01 | Release date: | 2011-10-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Functional Insights Into a Dodecameric Molecular Machine - the Ruvbl1/Ruvbl2 Complex. J.Struct.Biol., 176, 2011
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7R2L
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![BU of 7r2l by Molmil](/molmil-images/mine/7r2l) | Human Cyclophilin D in complex with N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | Descriptor: | DIMETHYL SULFOXIDE, N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Silva, D.O, Graedler, U, Bandeiras, T.M. | Deposit date: | 2022-02-04 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Human Cyclophilin D in complex with
N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide To Be Published
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7R2J
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![BU of 7r2j by Molmil](/molmil-images/mine/7r2j) | Human Cyclophilin D in complex with N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | Descriptor: | DIMETHYL SULFOXIDE, N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Silva, D.O, Graedler, U, Bandeiras, T.M. | Deposit date: | 2022-02-04 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Human Cyclophilin D in complex with
N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide To Be Published
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7OGI
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![BU of 7ogi by Molmil](/molmil-images/mine/7ogi) | Human Cyclophilin D in complex with N-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-8-yl)-7methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | Descriptor: | DIMETHYL SULFOXIDE, N-(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)-7-methyl-2-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Silva, D.O, Graedler, U, Bandeiras, T.M. | Deposit date: | 2021-05-06 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Human Cyclophilin D in complex with N-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-8-yl)-7methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide To Be Published
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5MMS
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![BU of 5mms by Molmil](/molmil-images/mine/5mms) | Human cystathionine beta-synthase (CBS) p.P49L delta409-551 variant | Descriptor: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Vicente, J.B, Colaco, H.G, Malagrino, F, Santo, P.E, Gutierres, A, Bandeiras, T.M, Leandro, P, Brito, J.A, Giuffre, A. | Deposit date: | 2016-12-12 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Clinically Relevant Variant of the Human Hydrogen Sulfide-Synthesizing Enzyme Cystathionine beta-Synthase: Increased CO Reactivity as a Novel Molecular Mechanism of Pathogenicity? Oxid Med Cell Longev, 2017, 2017
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6GQ8
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![BU of 6gq8 by Molmil](/molmil-images/mine/6gq8) | Superoxide reductase from Nanoarchaeum equitans | Descriptor: | FE (III) ION, NEQ011 | Authors: | Romao, C.V, Matias, P.M, Teixeira, M, Bandeiras, T.M. | Deposit date: | 2018-06-07 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into the Structures of Superoxide Reductases from the Symbionts Ignicoccus hospitalis and Nanoarchaeum equitans. Biochemistry, 57, 2018
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3H8I
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![BU of 3h8i by Molmil](/molmil-images/mine/3h8i) | The first X-ray structure of a sulfide:quinone oxidoreductase: Insights into sulfide oxidation mechanism | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase, PHOSPHATE ION, ... | Authors: | Brito, J.A, Sousa, F.L, Stelter, M, Bandeiras, T.M, Vonrhein, C, Teixeira, M, Pereira, M.M, Archer, M. | Deposit date: | 2009-04-29 | Release date: | 2009-06-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural and functional insights into sulfide:quinone oxidoreductase. Biochemistry, 48, 2009
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3H8L
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![BU of 3h8l by Molmil](/molmil-images/mine/3h8l) | The first X-ray structure of a sulfide:quinone oxidoreductase: insights into sulfide oxidation mechanism | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase, PHOSPHATE ION, ... | Authors: | Brito, J.A, Sousa, F.L, Stelter, M, Bandeiras, T.M, Vonrhein, C, Teixeira, M, Pereira, M.M, Archer, M. | Deposit date: | 2009-04-29 | Release date: | 2009-06-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural and functional insights into sulfide:quinone oxidoreductase. Biochemistry, 48, 2009
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4BK8
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![BU of 4bk8 by Molmil](/molmil-images/mine/4bk8) | Superoxide reductase (Neelaredoxin) from Ignicoccus hospitalis | Descriptor: | DESULFOFERRODOXIN, FERROUS IRON-BINDING REGION, FE (III) ION | Authors: | Romao, C.V, Matias, P.M, Pinho, F.G, Sousa, C.M, Barradas, A.R, Pinto, A.F, Teixeira, M, Bandeiras, T.M. | Deposit date: | 2013-04-22 | Release date: | 2014-04-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.847 Å) | Cite: | Structure of a Natural Sor Mutant To be Published
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7ZJP
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![BU of 7zjp by Molmil](/molmil-images/mine/7zjp) | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 | Descriptor: | 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1 | Authors: | Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D. | Deposit date: | 2022-04-11 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 . J.Med.Chem., 65, 2022
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4BRV
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![BU of 4brv by Molmil](/molmil-images/mine/4brv) | Superoxide reductase (Neelaredoxin) from Ignicoccus hospitalis E23A | Descriptor: | DESULFOFERRODOXIN, FERROUS IRON-BINDING REGION, FE (III) ION | Authors: | Romao, C.V, Matias, P.M, Pinho, F.G, Sousa, C.M, Barradas, A.R, Pinto, A.F, Teixeira, M, Bandeiras, T.M. | Deposit date: | 2013-06-05 | Release date: | 2014-06-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of a Natural Sor Mutant To be Published
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4BRJ
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![BU of 4brj by Molmil](/molmil-images/mine/4brj) | Superoxide reductase (Neelaredoxin) from Ignicoccus hospitalis T24K | Descriptor: | DESULFOFERRODOXIN, FERROUS IRON-BINDING REGION, FE (III) ION | Authors: | Romao, C.V, Matias, P.M, Pinho, F.G, Sousa, C.M, Barradas, A.R, Pinto, A.F, Teixeira, M, Bandeiras, T.M. | Deposit date: | 2013-06-04 | Release date: | 2014-06-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a Natural Sor Mutant To be Published
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4D7P
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![BU of 4d7p by Molmil](/molmil-images/mine/4d7p) | Superoxide reductase (1Fe-SOR) from Giardia intestinalis | Descriptor: | FE (III) ION, SUPEROXIDE REDUCTASE | Authors: | Sousa, C.M, Carpentier, P, Matias, P.M, Testa, F, Pinho, F.G, Sarti, P, Giuffre, A, Bandeiras, T.M, Romao, C.V. | Deposit date: | 2014-11-26 | Release date: | 2015-10-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Superoxide Reductase from Giardia Intestinalis: Structural Characterization of the First Sor from a Eukaryotic Organism Shows an Iron Centre that is Highly Sensitive to Photoreduction. Acta Crystallogr.,Sect.D, 71, 2015
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6I99
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![BU of 6i99 by Molmil](/molmil-images/mine/6i99) | Bone Marrow Tyrosine Kinase in Chromosome X in complex with a newly designed covalent inhibitor JS24 | Descriptor: | Cytoplasmic tyrosine-protein kinase BMX, ~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide | Authors: | Sousa, B.B, Matias, P.M, Marques, M.C, Seixas, J.D, Bernardes, G.J.L. | Deposit date: | 2018-11-22 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural and biophysical insights into the mode of covalent binding of rationally designed potent BMX inhibitors Chem.Biol., 2020
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6H7X
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![BU of 6h7x by Molmil](/molmil-images/mine/6h7x) | First X-ray structure of full-length human RuvB-Like 2. | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Silva, S, Brito, J.A, Matias, P, Bandeiras, T. | Deposit date: | 2018-07-31 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.892 Å) | Cite: | X-ray structure of full-length human RuvB-Like 2 - mechanistic insights into coupling between ATP binding and mechanical action. Sci Rep, 8, 2018
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5LMC
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![BU of 5lmc by Molmil](/molmil-images/mine/5lmc) | Oxidized flavodiiron core of Escherichia coli flavorubredoxin, including the Fe-4SG atoms from its rubredoxin domain | Descriptor: | ACETIC ACID, Anaerobic nitric oxide reductase flavorubredoxin, CACODYLATE ION, ... | Authors: | Romao, C.V, Borges, P.T, Vicente, J.B, Carrondo, M.A, Teixeira, M, Frazao, C. | Deposit date: | 2016-07-29 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Escherichia coli Flavodiiron Nitric Oxide Reductase. J.Mol.Biol., 428, 2016
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5LLD
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![BU of 5lld by Molmil](/molmil-images/mine/5lld) | Flavodiiron core of Escherichia coli flavorubredoxin in the reduced form. | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Romao, C.V, Borges, P.T, Vicente, J.B, Carrondo, M.A, Teixeira, M, Frazao, C. | Deposit date: | 2016-07-27 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Structure of Escherichia coli Flavodiiron Nitric Oxide Reductase. J.Mol.Biol., 428, 2016
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