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PDB: 92 results

8T5W
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Influenza PAN endonuclease I38T mutant with Baloxavir
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-14
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
5WE9
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BU of 5we9 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 7b (SRI-29731)
Descriptor: 1,2-ETHANEDIOL, 2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MAGNESIUM ION, ...
Authors:Kumar, G, White, S.W.
Deposit date:2017-07-07
Release date:2017-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5D9J
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BU of 5d9j by Molmil
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
4AVL
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BU of 4avl by Molmil
Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with dTMP
Descriptor: MANGANESE (II) ION, POLYMERASE PA, THYMIDINE-5'-PHOSPHATE
Authors:Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H.J, Ruigrok, R.W.H, Cusack, S.
Deposit date:2012-05-28
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase.
Plos Pathog., 8, 2012
4AWK
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BU of 4awk by Molmil
Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 1
Descriptor: (2Z)-4-[(3S)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, POLYMERASE PA
Authors:Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S.
Deposit date:2012-06-04
Release date:2012-08-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase.
Plos Pathog., 8, 2012
8T6Z
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BU of 8t6z by Molmil
Influenza PAN endonuclease I38T mutant with 6-(4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Descriptor: (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-19
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
7V04
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BU of 7v04 by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide
Descriptor: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
Deposit date:2022-05-09
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
5W3I
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BU of 5w3i by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6e (SRI-29685)
Descriptor: 5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide, GLYCEROL, MANGANESE (II) ION, ...
Authors:Kumar, G, White, S.W.
Deposit date:2017-06-07
Release date:2017-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
6FS7
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BU of 6fs7 by Molmil
Influenza A/California/04/2009 (pH1N1) endonuclease with I38T mutation with bound inhibitor, baloxavir acid (BXA)
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein
Authors:Cusack, S, Speranzini, V.
Deposit date:2018-02-19
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018
5CZN
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BU of 5czn by Molmil
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
5D42
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BU of 5d42 by Molmil
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
5WEF
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BU of 5wef by Molmil
Crystal structure of the influenza virus PA endonuclease (F105S mutant) in complex with inhibitor 7a (SRI-29770)
Descriptor: 1,2-ETHANEDIOL, 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, ...
Authors:Kumar, G, White, S.W.
Deposit date:2017-07-09
Release date:2017-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5VQN
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BU of 5vqn by Molmil
E119D mutant of 2009 H1N1 PA Endonuclease in complex with RO-7
Descriptor: 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Kumar, G, White, S.W.
Deposit date:2017-05-09
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
8T5Z
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BU of 8t5z by Molmil
Influenza PA-N Endonuclease (amino acids 52-74 truncation)
Descriptor: MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-14
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
4AWH
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BU of 4awh by Molmil
Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with rUMP
Descriptor: MANGANESE (II) ION, POLYMERASE PA, URIDINE-5'-MONOPHOSPHATE
Authors:Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S.
Deposit date:2012-06-03
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase.
Plos Pathog., 8, 2012
5DES
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BU of 5des by Molmil
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
8DJV
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BU of 8djv by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
Descriptor: 6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
Deposit date:2022-07-01
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8T67
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BU of 8t67 by Molmil
Influenza PA-N Endonuclease I38T Mutant (amino acids 52-74 truncation)
Descriptor: MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-15
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
5D4G
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BU of 5d4g by Molmil
2009 H1N1 PA endonuclease mutant F105S in complex with rUMP
Descriptor: MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE
Authors:Kumar, G, White, S.W.
Deposit date:2015-08-07
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6DCY
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BU of 6dcy by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid
Descriptor: 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Dick, B.L, Morrison, C.N, Cohen, S.M.
Deposit date:2018-05-08
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
7K0W
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BU of 7k0w by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease (construct with truncated loop 51-72) in complex with Baloxavir acid
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Kumar, G, White, S.W.
Deposit date:2020-09-06
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of the influenza virus PA endonuclease in complex with Baloxavir Acid
To Be Published
8VGZ
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BU of 8vgz by Molmil
Influenza PA-N Endonuclease E23K Mutant (amino acids 52-74 truncation)
Descriptor: MANGANESE (II) ION, Protein PA-X
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-12-30
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
5W9G
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BU of 5w9g by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9k (SRI-30023)
Descriptor: 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Kumar, G, White, S.
Deposit date:2017-06-23
Release date:2017-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5WDN
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BU of 5wdn by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6d (SRI-29680)
Descriptor: 5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kumar, G, White, S.W.
Deposit date:2017-07-05
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5CCY
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BU of 5ccy by Molmil
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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