4ZWS
 
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4ZWT
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5CCY
 | | 2009 H1N1 PA endonuclease in complex with dTMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-07-02 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1HZZ
 | | THE ASYMMETRIC COMPLEX OF THE TWO NUCLEOTIDE-BINDING COMPONENTS (DI, DIII) OF PROTON-TRANSLOCATING TRANSHYDROGENASE | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTON-TRANSLOCATING NICOTINAMIDE NUCLEOTIDE TRANSHYDROGENASE SUBUNIT PNTAA, ... | | Authors: | Cotton, N.P.J, White, S.A, Peake, S.J, McSweeney, S, Jackson, J.B. | | Deposit date: | 2001-01-27 | | Release date: | 2001-08-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of an asymmetric complex of the two nucleotide binding components of proton-translocating transhydrogenase.
Structure, 9, 2001
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5CL0
 | | 2009 H1N1 PA endonuclease in complex with rUMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-07-15 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3MK6
 | | Substrate and Inhibitor Binding to Pank | | Descriptor: | ACETYL COENZYME *A, GLYCEROL, Pantothenate kinase 3 | | Authors: | Yun, M.-K, White, S.W. | | Deposit date: | 2010-04-14 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Modulation of Pantothenate Kinase 3 Activity by Small Molecules that Interact with the Substrate/Allosteric Regulatory Domain.
Chem.Biol., 17, 2010
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5D42
 | | 2009 H1N1 PA endonuclease mutant F105S in complex with dTMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-07 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5DEB
 | | 2009 H1N1 PA endonuclease mutant E119D in complex with rUMP | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-25 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5D2O
 | | 2009 H1N1 PA endonuclease mutant F105S | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-05 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5D8U
 | | 2009 H1N1 PA endonuclease mutant E119D in complex with L-742,001 | | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3S13
 | | Crystal structure of H5N1 influenza virus hemagglutinin, strain YU562 crystal form 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Heath, R.J, White, S.W, Russell, C.J. | | Deposit date: | 2011-05-14 | | Release date: | 2011-12-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity.
Plos Pathog., 7, 2011
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5D9J
 | | 2009 H1N1 PA endonuclease mutant F105S in complex with L-742,001 | | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3S12
 | | Crystal structure of H5N1 influenza virus hemagglutinin, strain YU562 crystal form 1 | | 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 chain, ... | | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Heath, R.J, White, S.W, Russell, C.J. | | Deposit date: | 2011-05-14 | | Release date: | 2011-12-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity.
Plos Pathog., 7, 2011
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5CZN
 | | 2009 H1N1 PA endonuclease mutant E119D | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-07-31 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5DES
 | | 2009 H1N1 PA endonuclease domain | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-25 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
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2HIM
 | | Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia coli L-Asparaginase I | | Descriptor: | 1,2-ETHANEDIOL, ASPARAGINE, ASPARTIC ACID, ... | | Authors: | Yun, M.K, Nourse, A, White, S.W, Rock, C.O, Heath, R.J. | | Deposit date: | 2006-06-29 | | Release date: | 2007-05-15 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia coli L-Asparaginase I.
J.Mol.Biol., 369, 2007
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5WDW
 | | Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 10k (SRI-30027) | | Descriptor: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-07-06 | | Release date: | 2018-01-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5WFM
 | | Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 10e (SRI-30024) | | Descriptor: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-07-12 | | Release date: | 2018-01-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5WG9
 | | Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 9b (SRI-30101) | | Descriptor: | 2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-07-13 | | Release date: | 2018-01-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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3TS3
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4D8Z
 | | Crystal structure of B. anthracis DHPS with compound 24 | | Descriptor: | (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION | | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | | Deposit date: | 2012-01-11 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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4D9P
 | | Crystal structure of B. anthracis DHPS with compound 17 | | Descriptor: | (3R)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION | | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | | Deposit date: | 2012-01-11 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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4D8A
 | | Crystal structure of B. anthracis DHPS with compound 21 | | Descriptor: | Dihydropteroate synthase, LYSINE, SULFATE ION, ... | | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | | Deposit date: | 2012-01-10 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.183 Å) | | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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4DAI
 | | Crystal structure of B. anthracis DHPS with compound 23 | | Descriptor: | (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid, Dihydropteroate Synthase, SULFATE ION | | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | | Deposit date: | 2012-01-12 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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4DB7
 | | Crystal structure of B. anthracis DHPS with compound 25 | | Descriptor: | 3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate Synthase, SULFATE ION | | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | | Deposit date: | 2012-01-13 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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