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7ZPY
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BU of 7zpy by Molmil
Influenza polymerase A C-terminal domain of PA subunit with optimized small peptide inhibitor
分子名称: METHOXY-ETHOXYL, Peptide inhibitor (ASP-TYR-ASN-PRO-TYR-LEU-LEU-TYR-LEU-LYS), Polymerase acidic protein
著者Radilova, K, Brynda, J.
登録日2022-04-29
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Thermodynamic and structural characterization of an optimized peptide-based inhibitor of the influenza polymerase PA-PB1 subunit interaction.
Antiviral Res., 208, 2022
7NUG
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BU of 7nug by Molmil
Influenza A/California/07/2009(H1N1) endonuclease in complex with orientin
分子名称: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Radilova, K, Brynda, J.
登録日2021-03-12
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors.
Int J Mol Sci, 22, 2021
7NUH
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BU of 7nuh by Molmil
Influenza A/California/07/2009(H1N1) endonuclease with I38T mutation in complex with orientin
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Radilova, K, Brynda, J.
登録日2021-03-12
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors.
Int J Mol Sci, 22, 2021
6YA5
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BU of 6ya5 by Molmil
2009 H1N1 PA Endonuclease in complex with LU2
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Radilova, K, Brynda, J.
登録日2020-03-11
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unraveling the anti-influenza effect of flavonoids: Experimental validation of luteolin and its congeners as potent influenza endonuclease inhibitors.
Eur.J.Med.Chem., 208, 2020
6YEM
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BU of 6yem by Molmil
H1N1 2009 PA Endonuclease in complex with Quambalarine B
分子名称: 3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione, CHLORIDE ION, MAGNESIUM ION, ...
著者Radilova, K, Brynda, J.
登録日2020-03-25
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Unraveling the anti-influenza effect of flavonoids: Experimental validation of luteolin and its congeners as potent influenza endonuclease inhibitors.
Eur.J.Med.Chem., 208, 2020
7AS0
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BU of 7as0 by Molmil
Influenza A PB2 in complex with VX-787
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, BROMIDE ION, Polymerase basic protein 2
著者Radilova, K, Brynda, J.
登録日2020-10-26
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021
7AS1
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BU of 7as1 by Molmil
Influenza A PB2 (F404Y mutation) in complex with VX-787
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, CHLORIDE ION, Polymerase basic protein 2
著者Radilova, K, Brynda, J.
登録日2020-10-26
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021
7AS2
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BU of 7as2 by Molmil
Influenza A PB2 (M431 mutation) in complex with VX-787
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
著者Radilova, K, Brynda, J.
登録日2020-10-26
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021
7AS3
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BU of 7as3 by Molmil
Influenza A PB2 (H357N mutation) in complex with VX-787
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
著者Radilova, K, Brynda, J.
登録日2020-10-26
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021
4HXF
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BU of 4hxf by Molmil
Acylaminoacyl peptidase in complex with Z-Gly-Gly-Phe-chloromethyl ketone
分子名称: CHLORIDE ION, HEXANE-1,6-DIOL, MAGNESIUM ION, ...
著者Kiss-Szeman, A, Menyhard, D.K, Tichy-Racs, E, Hornung, B, Radi, K, Szeltner, Z, Domokos, K, Szamosi, I, Naray-Szabo, G, Polgar, L, Harmat, V.
登録日2012-11-09
公開日2013-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION.
J.Biol.Chem., 288, 2013
4HXE
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BU of 4hxe by Molmil
Pyrococcus horikoshii acylaminoacyl peptidase (uncomplexed)
分子名称: HEXANE-1,6-DIOL, MAGNESIUM ION, Putative uncharacterized protein PH0594
著者Tichy-Racs, E, Hornung, B, Radi, K, Menyhard, D.K, Kiss-Szeman, A, Szeltner, Z, Domokos, K, Szamosi, I, Naray-Szabo, G, Polgar, L, Harmat, V.
登録日2012-11-09
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION.
J.Biol.Chem., 288, 2013
4HXG
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BU of 4hxg by Molmil
Pyrococcus horikoshii acylaminoacyl peptidase (orthorhombic crystal form)
分子名称: CHLORIDE ION, HEXANE-1,6-DIOL, MAGNESIUM ION, ...
著者Kiss-Szeman, A, Menyhard, D.K, Tichy-Racs, E, Hornung, B, Radi, K, Szeltner, Z, Domokos, K, Szamosi, I, Naray-Szabo, G, Polgar, L, Harmat, V.
登録日2012-11-09
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION.
J.Biol.Chem., 288, 2013
2HU7
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BU of 2hu7 by Molmil
Binding of inhibitors by Acylaminoacyl peptidase
分子名称: ACETYL GROUP, Acylamino-acid-releasing enzyme, GLYCEROL, ...
著者Kiss, A.L, Hornung, B, Radi, K, Gengeliczki, Z, Sztaray, B, Harmat, V, Polgar, L.
登録日2006-07-26
公開日2007-05-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity
J.Mol.Biol., 368, 2007
2HU8
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BU of 2hu8 by Molmil
Binding of inhibitors by Acylaminoacyl peptidase
分子名称: 2-AMINOBENZOIC ACID, Acylamino-acid-releasing enzyme, GLYCINE, ...
著者Kiss, A.L, Hornung, B, Radi, K, Gengeliczki, Z, Sztaray, B, Harmat, V, Polgar, L.
登録日2006-07-26
公開日2007-05-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity
J.Mol.Biol., 368, 2007
2HU5
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BU of 2hu5 by Molmil
Binding of inhibitors by Acylaminoacyl-peptidase
分子名称: Acylamino-acid-releasing enzyme, GLYCEROL, GLYCINE, ...
著者Kiss, A.L, Hornung, B, Radi, K, Gengeliczki, Z, Sztaray, B, Harmat, V, Polgar, L.
登録日2006-07-26
公開日2007-05-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity
J.Mol.Biol., 368, 2007
5GIK
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BU of 5gik by Molmil
Modulation of the affinity of a HIV-1 capsid-directed ankyrin towards its viral target through critical amino acid editing
分子名称: Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant -S45Y, GLYCEROL
著者Chuankhayan, P, Saoin, S, Wisitponchai, T, Intachai, K, Chupradit, K, Moonmuang, S, Kitidee, K, Nangola, S, Sanghiran, L.V, Hong, S.S, Boulanger, P, Tayapiwatana, C, Chen, C.J.
登録日2016-06-24
公開日2017-06-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Modulation of the affinity of a HIV-1 capsid-directed ankyrintowards its viral target through critical amino acid editing
To Be Published
4ZFH
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BU of 4zfh by Molmil
Crystal structure of Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant -Y56A
分子名称: Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant -Y56A, MAGNESIUM ION
著者Chuankhayan, P, Saoin, S, Chupradit, K, Wisitponchai, T, Intachai, K, Kitidee, K, Nangola, S, Sanghiran, L.V, Hong, S.S, Boulanger, P, Tayapiwatana, C, Chen, C.J.
登録日2015-04-21
公開日2016-04-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant- Y56A
To Be Published
1C5L
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BU of 1c5l by Molmil
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
分子名称: CALCIUM ION, Hirudin, SODIUM ION, ...
著者Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L.
登録日1999-12-22
公開日2000-12-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
1C5M
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BU of 1c5m by Molmil
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
分子名称: PROTEIN (COAGULATION FACTOR X)
著者Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L.
登録日1999-12-22
公開日2000-12-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
1C5N
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BU of 1c5n by Molmil
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
分子名称: 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CALCIUM ION, Hirudin, ...
著者Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L.
登録日1999-12-22
公開日2000-12-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
1C5V
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BU of 1c5v by Molmil
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
分子名称: CALCIUM ION, MAGNESIUM ION, PROTEIN (TRYPSIN)
著者Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L.
登録日1999-12-22
公開日2000-12-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
1C5Q
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BU of 1c5q by Molmil
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
分子名称: 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CALCIUM ION, CHLORIDE ION, ...
著者Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L.
登録日1999-12-22
公開日2000-12-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
1C5P
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BU of 1c5p by Molmil
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
分子名称: BENZAMIDINE, CALCIUM ION, MAGNESIUM ION, ...
著者Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L.
登録日1999-12-22
公開日2000-12-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
1C5O
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BU of 1c5o by Molmil
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
分子名称: BENZAMIDINE, Hirudin, SODIUM ION, ...
著者Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L.
登録日1999-12-22
公開日2000-12-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
1C5W
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BU of 1c5w by Molmil
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
分子名称: 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CITRATE ANION, PROTEIN (UROKINASE-TYPE PLASMINOGEN ACTIVATOR)
著者Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L.
登録日1999-12-22
公開日2000-12-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000

 

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