3SRK
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![BU of 3srk by Molmil](/molmil-images/mine/3srk) | A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase | Descriptor: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, POTASSIUM ION, Pyruvate kinase, ... | Authors: | Morgan, H.P, Walsh, M, Blackburn, E.A, Wear, M.A, Boxer, M, Shen, M, McNae, I.W, Michels, P.A.M, Auld, D.S, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2011-07-07 | Release date: | 2012-07-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase To be Published
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3BJH
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![BU of 3bjh by Molmil](/molmil-images/mine/3bjh) | Soft-SAD crystal structure of a pheromone binding protein from the honeybee Apis mellifera L. | Descriptor: | GLYCEROL, N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1 | Authors: | Lartigue, A, Gruez, A, Briand, L, Blon, F, Bezirard, V, Walsh, M, Pernollet, J.C, Tegoni, M, Cambillau, C. | Deposit date: | 2007-12-04 | Release date: | 2007-12-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Sulfur single-wavelength anomalous diffraction crystal structure of a pheromone-binding protein from the honeybee Apis mellifera L. J.Biol.Chem., 279, 2004
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1DY9
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![BU of 1dy9 by Molmil](/molmil-images/mine/1dy9) | Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (inhibitor I) | Descriptor: | N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70), ... | Authors: | Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M. | Deposit date: | 2000-01-31 | Release date: | 2001-01-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes J.Biol.Chem., 275, 2000
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1DY8
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![BU of 1dy8 by Molmil](/molmil-images/mine/1dy8) | Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (inhibitor II) | Descriptor: | N-[(benzyloxy)carbonyl]-L-isoleucyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70) | Authors: | Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M. | Deposit date: | 2000-01-31 | Release date: | 2001-01-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes J.Biol.Chem., 275, 2000
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1DXP
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![BU of 1dxp by Molmil](/molmil-images/mine/1dxp) | Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (apo structure) | Descriptor: | GLYCEROL, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70), ... | Authors: | Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M. | Deposit date: | 2000-01-13 | Release date: | 2001-01-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes J.Biol.Chem., 275, 2000
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4YW4
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![BU of 4yw4 by Molmil](/molmil-images/mine/4yw4) | Streptococcus pneumoniae sialidase NanC | Descriptor: | GLYCEROL, Neuraminidase C, PHOSPHATE ION | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | Deposit date: | 2015-03-20 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a novel sialidase To be published
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1UW7
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![BU of 1uw7 by Molmil](/molmil-images/mine/1uw7) | Nsp9 protein from SARS-coronavirus. | Descriptor: | NSP9 | Authors: | Sutton, G, Fry, E, Carter, L, Sainsbury, S, Walter, T, Nettleship, J, Berrow, N, Owens, R, Gilbert, R, Davidson, A, Siddell, S, Poon, L.L.M, Diprose, J, Alderton, D, Walsh, M, Grimes, J.M, Stuart, D.I. | Deposit date: | 2004-01-30 | Release date: | 2004-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Nsp9 Replicase Protein of Sars-Coronavirus, Structure and Functional Insights Structure, 12, 2004
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1SFK
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![BU of 1sfk by Molmil](/molmil-images/mine/1sfk) | Core (C) protein from West Nile Virus, subtype Kunjin | Descriptor: | CALCIUM ION, CHLORIDE ION, Core protein, ... | Authors: | Dokland, T, Walsh, M, Mackenzie, J.M, Khromykh, A.A, Ee, K.-H, Wang, S. | Deposit date: | 2004-02-19 | Release date: | 2004-08-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | West nile virus core protein; tetramer structure and ribbon formation Structure, 12, 2004
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1W3C
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![BU of 1w3c by Molmil](/molmil-images/mine/1w3c) | Crystal structure of the Hepatitis C Virus NS3 Protease in complex with a peptidomimetic inhibitor | Descriptor: | 3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARB ONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID, 3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID, NONSTRUCTURAL PROTEIN NS4A (P4), ... | Authors: | Di Marco, S, Volpari, C. | Deposit date: | 2004-07-14 | Release date: | 2004-12-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Design and Enzyme-Bound Crystal Structure of Indoline Based Peptidomimetic Inhibitors of Hepatitis C Virus Ns3 Protease J.Med.Chem., 47, 2004
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5FR7
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![BU of 5fr7 by Molmil](/molmil-images/mine/5fr7) | Erwinia amylovora AmyR amylovoran repressor, a member of the YbjN protein family | Descriptor: | AMYR | Authors: | Bartho, J.D, Bellini, D, Wuerges, J, Demitri, N, Walsh, M, Benini, S. | Deposit date: | 2015-12-16 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions. PLoS ONE, 12, 2017
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5FRK
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![BU of 5frk by Molmil](/molmil-images/mine/5frk) | SeMet crystal structure of Erwinia amylovora AmyR amylovoran repressor, a member of the YbjN protein family | Descriptor: | AMYR | Authors: | Bartho, J.D, Bellini, D, Wuerges, J, Demitri, N, Walsh, M, Benini, S. | Deposit date: | 2015-12-18 | Release date: | 2017-02-15 | Last modified: | 2019-03-06 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions. PLoS ONE, 12, 2017
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7Q20
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![BU of 7q20 by Molmil](/molmil-images/mine/7q20) | Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) in complex with blood group A trisaccharide | Descriptor: | CALCIUM ION, MAGNESIUM ION, Ruminococcus gnavus endogalactosidase GH98, ... | Authors: | Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | Deposit date: | 2021-10-22 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract. Plos Biol., 19, 2021
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7PMO
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![BU of 7pmo by Molmil](/molmil-images/mine/7pmo) | Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | Deposit date: | 2021-09-02 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract. Plos Biol., 19, 2021
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7Q1W
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![BU of 7q1w by Molmil](/molmil-images/mine/7q1w) | Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | Deposit date: | 2021-10-21 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract. Plos Biol., 19, 2021
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4B7F
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![BU of 4b7f by Molmil](/molmil-images/mine/4b7f) | Structure of a liganded bacterial catalase | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Gumiero, A, Walsh, M. | Deposit date: | 2012-08-20 | Release date: | 2013-08-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A Structural and Dynamic Investigation of the Inhibition of Catalase by Nitric Oxide. Org.Biomol.Chem., 11, 2013
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4B7G
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![BU of 4b7g by Molmil](/molmil-images/mine/4b7g) | Structure of a bacterial catalase | Descriptor: | CATALASE, CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Gumiero, A, Walsh, M. | Deposit date: | 2012-08-20 | Release date: | 2013-08-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Structural and Dynamic Investigation of the Inhibition of Catalase by Nitric Oxide. Org.Biomol.Chem., 11, 2013
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4B7H
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![BU of 4b7h by Molmil](/molmil-images/mine/4b7h) | Structure of a highdose liganded bacterial catalase | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CATALASE, CHLORIDE ION, ... | Authors: | Gumiero, A, Walsh, M. | Deposit date: | 2012-08-20 | Release date: | 2013-08-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | A Structural and Dynamic Investigation of the Inhibition of Catalase by Nitric Oxide. Org.Biomol.Chem., 11, 2013
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5F9T
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![BU of 5f9t by Molmil](/molmil-images/mine/5f9t) | Crystal Structure of Streptococcus pneumoniae NanC, covalent complex with a fluorinated Neu5Ac derivative | Descriptor: | (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, GLYCEROL, ... | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | Deposit date: | 2015-12-10 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
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5MF5
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![BU of 5mf5 by Molmil](/molmil-images/mine/5mf5) | PA3825-EAL Mg-CdG Structure | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate phosphodiesterase, MAGNESIUM ION | Authors: | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | Deposit date: | 2016-11-17 | Release date: | 2016-12-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases. Sci Rep, 7, 2017
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5MFU
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![BU of 5mfu by Molmil](/molmil-images/mine/5mfu) | PA3825-EAL Mn-pGpG Structure | Descriptor: | Diguanylate phosphodiesterase, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | Deposit date: | 2016-11-18 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases. Sci Rep, 7, 2017
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5MKG
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![BU of 5mkg by Molmil](/molmil-images/mine/5mkg) | PA3825-EAL Ca-CdG Structure | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Diguanylate phosphodiesterase | Authors: | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | Deposit date: | 2016-12-04 | Release date: | 2016-12-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases. Sci Rep, 7, 2017
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3JUA
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![BU of 3jua by Molmil](/molmil-images/mine/3jua) | |
1C7E
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![BU of 1c7e by Molmil](/molmil-images/mine/1c7e) | D95E HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | McCarthy, A, Walsh, M, Higgins, T, D'Arcy, D. | Deposit date: | 2000-02-16 | Release date: | 2000-08-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystallographic Investigation of the Role of Aspartate 95 in the Modulation of the Redox Potentials Of Desulfovibrio Vulgaris Flavodoxin Biochemistry, 41, 2002
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1C7F
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![BU of 1c7f by Molmil](/molmil-images/mine/1c7f) | D95E OXIDIZED FLAVODOXIN MUTANT FROM D. VULGARIS | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | McCarthy, A, Walsh, M, Higgins, T, D'Arcy, D. | Deposit date: | 2000-02-11 | Release date: | 2000-08-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic Investigation of the Role of Aspartate 95 in the Modulation of the Redox Potentials Of Desulfovibrio Vulgaris Flavodoxin Biochemistry, 41, 2002
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1AKU
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![BU of 1aku by Molmil](/molmil-images/mine/1aku) | D95A HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION | Authors: | Mccarthy, A, Walsh, M, Higgins, T. | Deposit date: | 1997-05-27 | Release date: | 1998-12-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic investigation of the role of aspartate 95 in the modulation of the redox potentials of Desulfovibrio vulgaris flavodoxin. Biochemistry, 41, 2002
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