4E5L
| Crystal structure of avian influenza virus PAn bound to compound 6 | Descriptor: | 2,3-DIHYDROXY-BENZOIC ACID, MANGANESE (II) ION, Polymerase protein PA, ... | Authors: | DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W. | Deposit date: | 2012-03-14 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.469 Å) | Cite: | Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease. Plos Pathog., 8, 2012
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4E5J
| Crystal structure of avian influenza virus PAn bound to compound 5 | Descriptor: | 2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid, MANGANESE (II) ION, Polymerase protein PA, ... | Authors: | DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W. | Deposit date: | 2012-03-14 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease. Plos Pathog., 8, 2012
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4E5I
| Crystal structure of avian influenza virus PAn bound to compound 4 | Descriptor: | 5-hydroxy-2-(1-methyl-1H-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid, MANGANESE (II) ION, Polymerase protein PA, ... | Authors: | DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W. | Deposit date: | 2012-03-14 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.944 Å) | Cite: | Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease. Plos Pathog., 8, 2012
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6V6X
| The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000988632 | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2019-12-06 | Release date: | 2020-12-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6VG9
| The crystal structure of the 2009 H1N1/California PA endonuclease I38T mutant in complex with SJ000986248 | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-07 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6V9E
| The crystal structure of the 2009 H1N1 PA endonuclease wild type in complex with SJ000988632 | Descriptor: | 1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one), MANGANESE (II) ION, N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2019-12-13 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6VBR
| The crystal structure of the 2009 H1N1/California PA endonuclease wild type in complex with SJ000986248 | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2019-12-19 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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2B4Q
| Pseudomonas aeruginosa RhlG/NADP active-site complex | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | Authors: | Miller, D.J, White, S.W. | Deposit date: | 2005-09-26 | Release date: | 2006-05-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of RhlG, an Essential beta-Ketoacyl Reductase in the Rhamnolipid Biosynthetic Pathway of Pseudomonas aeruginosa. J.Biol.Chem., 281, 2006
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6W7A
| The crystal structure of the 2009/H1N1/California PA endonuclease mutant E119D bound to DNA oligomer TAGCAT (uncleaved, 5mM overnight DNA soak) | Descriptor: | DNA (5'-D(P*TP*AP*GP*CP*AP*T)-3'), GLYCEROL, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Kumar, G, Webb, T, White, S.W. | Deposit date: | 2020-03-18 | Release date: | 2021-02-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism. Nucleic Acids Res., 49, 2021
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6VL3
| The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986436 | Descriptor: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-22 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6VJH
| The crystal structure of the 2009 H1N1/California PA endonuclease wild type in complex with SJ000986192 | Descriptor: | 2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-16 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6VIV
| The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986192 | Descriptor: | 2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-14 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6W6B
| The X-ray crystal structure of the C-terminus domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 328-548) protein to 1.40 Angstrom resolution | Descriptor: | SULFATE ION, SaFakA-Cterminus domain | Authors: | Cuypers, M.G, Subramanian, C, Rock, C.O, White, S.W. | Deposit date: | 2020-03-16 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The X-ray crystal structure of the C-terminus domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 328-548) protein to 1.40 Angstrom resolution To Be Published
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2ALM
| Crystal structure analysis of a mutant beta-ketoacyl-[acyl carrier protein] synthase II from Streptococcus pneumoniae | Descriptor: | 3-oxoacyl-(acyl-carrier-protein) synthase II, MAGNESIUM ION | Authors: | Zhang, Y.M, Hurlbert, J, White, S.W, Rock, C.O. | Deposit date: | 2005-08-07 | Release date: | 2005-08-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Roles of the active site water, histidine 303, and phenylalanine 396 in the catalytic mechanism of the elongation condensing enzyme of Streptococcus pneumoniae. J.Biol.Chem., 281, 2006
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6WHM
| The crystal structure of the 2009/H1N1/California PA endonuclease wild type bound to DNA oligomer TAGC (cleaved TTAGCATT, 5mM overnight DNA soak) | Descriptor: | DNA (5'-D(P*TP*AP*GP*C)-3'), GLYCEROL, MAGNESIUM ION, ... | Authors: | Cuypers, M.G, Kumar, G, Webb, T, White, S.W. | Deposit date: | 2020-04-08 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism. Nucleic Acids Res., 49, 2021
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4HNJ
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6WS3
| The crystal structure of the 2009/H1N1/California PA endonuclease wild type bound to DNA oligomers TG and AGCA (from cleaved GTGAGCAGTG) | Descriptor: | DNA (5'-D(P*TP*G)-3'), GLYCEROL, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Kumar, G, Webb, T, White, S.W. | Deposit date: | 2020-04-30 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism. Nucleic Acids Res., 49, 2021
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6WIJ
| The crystal structure of the 2009/H1N1/California PA endonuclease mutant I38T in complex with SJ000986448 | Descriptor: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-04-10 | Release date: | 2021-04-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6WJ4
| The crystal structure of the 2009/H1N1/California PA endonuclease wild type in complex with SJ000986448 | Descriptor: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-04-11 | Release date: | 2021-04-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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4JUM
| Crystal structure of H5N1 influenza virus hemagglutinin, clade 4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J. | Deposit date: | 2013-03-25 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | To be published To be Published
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4JUL
| Crystal structure of H5N1 influenza virus hemagglutinin, clade 2.3.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J. | Deposit date: | 2013-03-25 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7927 Å) | Cite: | To be published To be Published
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4JUK
| Crystal structure of H5N1 influenza virus hemagglutinin, clade 2.3.2.1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ... | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J. | Deposit date: | 2013-03-25 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7502 Å) | Cite: | To be published To be Published
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4JUN
| Crystal structure of H5N1 influenza virus hemagglutinin, clade 5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J. | Deposit date: | 2013-03-25 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3398 Å) | Cite: | To be published To be Published
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2OCA
| The crystal structure of T4 UvsW | Descriptor: | ATP-dependent DNA helicase uvsW | Authors: | Kerr, I.D, White, S.W. | Deposit date: | 2006-12-20 | Release date: | 2007-10-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystallographic and NMR Analyses of UvsW and UvsW.1 from Bacteriophage T4. J.Biol.Chem., 282, 2007
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5V85
| The crystal structure of the protein of DegV family COG1307 from Ruminococcus gnavus ATCC 29149 (alternative refinement of PDB 3JR7 with Vaccenic acid) | Descriptor: | EDD domain protein, DegV family, PHOSPHATE ION, ... | Authors: | Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O. | Deposit date: | 2017-03-21 | Release date: | 2018-11-21 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution J.Biol.Chem., 2018
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