2YA5
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![BU of 2ya5 by Molmil](/molmil-images/mine/2ya5) | Crystal structure of Streptococcus pneumoniae NanA (TIGR4) in complex with sialic acid | Descriptor: | CHLORIDE ION, FORMIC ACID, N-acetyl-alpha-neuraminic acid, ... | Authors: | Gut, H, Xu, G, Taylor, G.L, Walsh, M.A. | Deposit date: | 2011-02-18 | Release date: | 2011-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Streptococcus Pneumoniae Nana Inhibition by Influenza Antivirals Zanamivir and Oseltamivir Carboxylate. J.Mol.Biol., 409, 2011
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5G60
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![BU of 5g60 by Molmil](/molmil-images/mine/5g60) | S.pneumoniae ABC-transporter substrate binding protein FusA in complex with nystose | Descriptor: | ABC TRANSPORTER, SUBSTRATE-BINDING PROTEIN, CALCIUM ION, ... | Authors: | Culurgioni, S, Harris, G, Singh, A.K, King, S.J, Walsh, M.A. | Deposit date: | 2016-06-10 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Basis for Regulation and Specificity of Fructooligosaccharide Import in Streptococcus pneumoniae. Structure, 25, 2017
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2YA7
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![BU of 2ya7 by Molmil](/molmil-images/mine/2ya7) | Crystal structure of Streptococcus pneumoniae NanA (TIGR4) in complex with Zanamivir | Descriptor: | CHLORIDE ION, NEURAMINIDASE A, ZANAMIVIR | Authors: | Gut, H, Xu, G, Taylor, G.L, Walsh, M.A. | Deposit date: | 2011-02-18 | Release date: | 2011-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural Basis for Streptococcus Pneumoniae Nana Inhibition by Influenza Antivirals Zanamivir and Oseltamivir Carboxylate. J.Mol.Biol., 409, 2011
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5FD6
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![BU of 5fd6 by Molmil](/molmil-images/mine/5fd6) | |
5A7G
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![BU of 5a7g by Molmil](/molmil-images/mine/5a7g) | Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LIVER CARBOXYLESTERASE 1 | Authors: | Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J. | Deposit date: | 2015-07-04 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1. Plos One, 10, 2015
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5A7F
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![BU of 5a7f by Molmil](/molmil-images/mine/5a7f) | Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LIVER CARBOXYLESTERASE 1, PHOSPHATE ION | Authors: | Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J. | Deposit date: | 2015-07-03 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1. Plos One, 10, 2015
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5G62
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![BU of 5g62 by Molmil](/molmil-images/mine/5g62) | S.pneumoniae ABC-transporter substrate binding protein FusA EF-hand mutant in complex with fructo-nystose | Descriptor: | ABC TRANSPORTER, SUBSTRATE-BINDING PROTEIN, CALCIUM ION, ... | Authors: | Culurgioni, S, Harris, G, Singh, A.K, King, S.J, Walsh, M.A. | Deposit date: | 2016-06-10 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Basis for Regulation and Specificity of Fructooligosaccharide Import in Streptococcus pneumoniae. Structure, 25, 2017
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5G5Y
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![BU of 5g5y by Molmil](/molmil-images/mine/5g5y) | S.pneumoniae ABC-transporter substrate binding protein FusA apo structure | Descriptor: | ABC TRANSPORTER, SUBSTRATE-BINDING PROTEIN, CALCIUM ION, ... | Authors: | Culurgioni, S, Harris, G, Singh, A.K, King, S.J, Walsh, M.A. | Deposit date: | 2016-06-10 | Release date: | 2017-01-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural Basis for Regulation and Specificity of Fructooligosaccharide Import in Streptococcus pneumoniae. Structure, 25, 2017
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5FD5
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![BU of 5fd5 by Molmil](/molmil-images/mine/5fd5) | manganese uptake regulator | Descriptor: | 1,2-ETHANEDIOL, Ferric uptake regulation protein, SULFATE ION | Authors: | Bellini, D, Lebedev, A, Keegan, R, Walsh, M.A. | Deposit date: | 2015-12-15 | Release date: | 2016-12-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure of an apo metal-free manganese uptake regulator, mur To Be Published
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5G61
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![BU of 5g61 by Molmil](/molmil-images/mine/5g61) | S.pneumoniae ABC-transporter substrate binding protein FusA in complex with fructo-nystose | Descriptor: | ABC TRANSPORTER, SUBSTRATE-BINDING PROTEIN, CALCIUM ION, ... | Authors: | Culurgioni, S, Harris, G, Singh, A.K, King, S.J, Walsh, M.A. | Deposit date: | 2016-06-10 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Regulation and Specificity of Fructooligosaccharide Import in Streptococcus pneumoniae. Structure, 25, 2017
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5MLT
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![BU of 5mlt by Molmil](/molmil-images/mine/5mlt) | |
5M1T
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![BU of 5m1t by Molmil](/molmil-images/mine/5m1t) | PaMucR Phosphodiesterase, c-di-GMP complex | 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), MAGNESIUM ION, MucR Phosphodiesterase | Authors: | Hutchin, A, Tews, I, Walsh, M.A. | Deposit date: | 2016-10-10 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.27 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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1O8U
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![BU of 1o8u by Molmil](/molmil-images/mine/1o8u) | The 2 Angstrom Structure of 6-Oxo Camphor Hydrolase: New Structural Diversity in the Crotonase Superfamily | Descriptor: | 6-OXO CAMPHOR HYDROLASE, SODIUM ION | Authors: | Grogan, G, Whittingham, J.L, Turkenburg, J.P, Verma, C.S, Walsh, M.A. | Deposit date: | 2002-12-04 | Release date: | 2003-01-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 2 a Crystal Structure of 6-Oxo Camphor Hydrolase: New Structural Diversity in the Crotonase Superfamily J.Biol.Chem., 278, 2003
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7OG0
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![BU of 7og0 by Molmil](/molmil-images/mine/7og0) | Nontypeable Haemophillus influenzae SapA in open and closed conformations, in complex with double stranded RNA | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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7OFZ
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![BU of 7ofz by Molmil](/molmil-images/mine/7ofz) | Nontypeable Haemophillus influenzae SapA in complex with double stranded RNA | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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7OFW
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![BU of 7ofw by Molmil](/molmil-images/mine/7ofw) | Nontypeable Haemophillus influenzae SapA in complex with heme | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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7NW2
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![BU of 7nw2 by Molmil](/molmil-images/mine/7nw2) | Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47 | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fearon, D, Douangamath, A, Aimon, A, Brandao-Neto, J, Dias, A, Dunnett, L, Gehrtz, P, Gorrie-Stone, T.J, Lukacik, P, Powell, A.J, Skyner, R, Strain-Damerell, C.M, Zaidman, D, London, N, Walsh, M.A, von Delft, F, Covid Moonshot Consortium | Deposit date: | 2021-03-16 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 M pro inhibitor. Cell Chem Biol, 28, 2021
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8PPS
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![BU of 8pps by Molmil](/molmil-images/mine/8pps) | Dimeric RbdA EAL, in apo state | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, EAL domain-containing protein, ... | Authors: | Cordery, C.R, Maly, M, Walsh, M.A, Tews, I. | Deposit date: | 2023-07-08 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Phosphodiesterase activation in the biofilm dispersal protein RbdA and relationship to the biofilm formation protein PA2072 of similar architecture To Be Published
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2VGZ
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![BU of 2vgz by Molmil](/molmil-images/mine/2vgz) | CRYSTAL STRUCTURE OF HUMAN KYNURENINE AMINOTRANSFERASE II | Descriptor: | IODIDE ION, KYNURENINE/ALPHA-AMINOADIPATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Rossi, F, Garavaglia, S, Montalbano, V, Walsh, M.A, Rizzi, M. | Deposit date: | 2007-11-16 | Release date: | 2007-12-04 | Last modified: | 2015-12-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Human Kynurenine Aminotransferase II, a Drug Target for the Treatment of Schizophrenia. J.Biol.Chem., 283, 2008
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2VH3
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![BU of 2vh3 by Molmil](/molmil-images/mine/2vh3) | ranasmurfin | Descriptor: | GLYCEROL, RANASMURFIN, SULFATE ION, ... | Authors: | Oke, M, Ching, R.T, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, Bloch Junior, C, Botting, C.H, Walsh, M.A, Latiff, A.A, Kennedy, M.W, Cooper, A, Naismith, J.H. | Deposit date: | 2007-11-17 | Release date: | 2007-12-04 | Last modified: | 2011-08-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Unusual Chromophore and Cross-Links in Ranasmurfin: A Blue Protein from the Foam Nests of a Tropical Frog. Angew.Chem.Int.Ed.Engl., 47, 2008
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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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2IVQ
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![BU of 2ivq by Molmil](/molmil-images/mine/2ivq) | |
9FGO
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![BU of 9fgo by Molmil](/molmil-images/mine/9fgo) | Crystal structure of Enterovirus 71 2A protease mutant C110A containing VP1-2A junction in the active site | Descriptor: | CHLORIDE ION, Polyprotein, ZINC ION | Authors: | Ni, X, Koekemoer, L, Williams, E.P, Wang, S, Wright, N.D, Godoy, A.S, Aschenbrenner, J.C, Balcomb, B.H, Lithgo, R.M, Marples, P.G, Fairhead, M, Thompson, W, Kirkegaard, K, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-05-24 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure of Enterovirus 71 2A protease mutant C110A containing VP1-2A junction in the active site To Be Published
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2IU7
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![BU of 2iu7 by Molmil](/molmil-images/mine/2iu7) | |