8PXC
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![BU of 8pxc by Molmil](/molmil-images/mine/8pxc) | Structure of Fap1, a domain of the accessory Sec-dependent serine-rich glycoprotein adhesin from Streptococcus oralis, solved at wavelength 3.06 A | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Fap1 | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Owen, C.D, Walsh, M.A, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8UM3
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![BU of 8um3 by Molmil](/molmil-images/mine/8um3) | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 6-chlorotetrazolo[1,5-b]pyridazine, ... | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-10-17 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.925 Å) | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992 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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2IVQ
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![BU of 2ivq by Molmil](/molmil-images/mine/2ivq) | |
2IU7
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![BU of 2iu7 by Molmil](/molmil-images/mine/2iu7) | |
2IVG
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![BU of 2ivg by Molmil](/molmil-images/mine/2ivg) | SITE DIRECTED MUTAGENESIS OF KEY RESIDUES INVOLVED IN THE CATALYTIC MECHANISM OF CYANASE | Descriptor: | AZIDE ION, CHLORIDE ION, CYANATE LYASE, ... | Authors: | Guilloton, M, Walsh, M.A, Joachimiak, A, Anderson, P.M. | Deposit date: | 2006-06-13 | Release date: | 2008-10-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | A Twin Set of Low Pka Arginines Ensures the Concerted Acid Base Catalytic Mechanism of Cyanase To be Published
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2IVB
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![BU of 2ivb by Molmil](/molmil-images/mine/2ivb) | SITE DIRECTED MUTAGENESIS OF KEY RESIDUES INVOLVED IN THE CATALYTIC MECHANISM OF CYANASE | Descriptor: | AZIDE ION, CHLORIDE ION, CYANATE HYDRATASE, ... | Authors: | Guilloton, M, Walsh, M.A, Joachimiak, A, Anderson, P.M. | Deposit date: | 2006-06-09 | Release date: | 2008-10-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Twin Set of Low Pka Arginines Ensures the Concerted Acid Base Catalytic Mechanism of Cyanase To be Published
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8R5J
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![BU of 8r5j by Molmil](/molmil-images/mine/8r5j) | Crystal structure of MERS-CoV main protease | Descriptor: | Non-structural protein 11 | Authors: | Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-11-16 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Crystal structure of MERS-CoV main protease To Be Published
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1AKR
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![BU of 1akr by Molmil](/molmil-images/mine/1akr) | G61A OXIDIZED FLAVODOXIN MUTANT | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Mccarthy, A, Walsh, M, Higgins, T. | Deposit date: | 1997-05-27 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants. Biochemistry, 37, 1998
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1AKW
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![BU of 1akw by Molmil](/molmil-images/mine/1akw) | G61L OXIDIZED FLAVODOXIN MUTANT | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Mccarthy, A, Walsh, M, Higgins, T. | Deposit date: | 1997-05-27 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants. Biochemistry, 37, 1998
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4Y9M
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![BU of 4y9m by Molmil](/molmil-images/mine/4y9m) | PA3825-EAL Metal-Free-Apo Structure | Descriptor: | PA3825-EAL, PHOSPHATE ION | Authors: | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 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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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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2IV1
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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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4Y9P
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![BU of 4y9p by Molmil](/molmil-images/mine/4y9p) | 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, PA3825-EAL | Authors: | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site To Be Published
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2IUO
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![BU of 2iuo by Molmil](/molmil-images/mine/2iuo) | Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase | Descriptor: | AZIDE ION, BROMIDE ION, CHLORIDE ION, ... | Authors: | Guilloton, M, Walsh, M.A, Joachimiak, A, Anderson, M.P. | Deposit date: | 2006-06-06 | Release date: | 2006-06-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Twin Set of Low Pka Arginines Ensures the Concerted Acid Base Catalytic Mechanism of Cyanase To be Published
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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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1AKQ
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![BU of 1akq by Molmil](/molmil-images/mine/1akq) | D95A OXIDIZED FLAVODOXIN MUTANT FROM D. VULGARIS | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Mccarthy, A, Walsh, M, Higgins, T. | Deposit date: | 1997-03-27 | 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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1AKV
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![BU of 1akv by Molmil](/molmil-images/mine/1akv) | D95A SEMIQUINONE 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 (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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1UW1
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![BU of 1uw1 by Molmil](/molmil-images/mine/1uw1) | |
1AKT
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![BU of 1akt by Molmil](/molmil-images/mine/1akt) | G61N OXIDIZED FLAVODOXIN MUTANT | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Mccarthy, A, Walsh, M, Higgins, T. | Deposit date: | 1997-05-27 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants. Biochemistry, 37, 1998
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4YZ2
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![BU of 4yz2 by Molmil](/molmil-images/mine/4yz2) | Crystal Structure of Streptococcus pneumoniae NanC, in complex with 2-deoxy-2,3-didehydro-N-acetylneuraminic acid. | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase NanC | Authors: | Lukacik, P, Owen, C.D, Potter, J.A, Taylor, G.L, Walsh, M.A. | Deposit date: | 2015-03-24 | Release date: | 2015-09-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.06 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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4YZ1
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![BU of 4yz1 by Molmil](/molmil-images/mine/4yz1) | Crystal Structure of Streptococcus pneumoniae NanC, apo structure. | Descriptor: | Putative neuraminidase, SULFATE ION | Authors: | Lukacik, P, Owen, D.O, Potter, J.A, Taylor, G.L, Walsh, M.A. | Deposit date: | 2015-03-24 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 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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4YZ5
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![BU of 4yz5 by Molmil](/molmil-images/mine/4yz5) | Crystal Structure of Streptococcus pneumoniae NanC, in complex with 3-Sialyllactose | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, Putative neuraminidase, ... | Authors: | Lukacik, P, Owen, C.D, Potter, J.A, Taylor, G.L, Walsh, M.A. | Deposit date: | 2015-03-24 | Release date: | 2015-09-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.27 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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