7NUG
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7NUH
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6YA5
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![BU of 6ya5 by Molmil](/molmil-images/mine/6ya5) | 2009 H1N1 PA Endonuclease in complex with LU2 | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Radilova, K, Brynda, J. | Deposit date: | 2020-03-11 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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6YEM
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![BU of 6yem by Molmil](/molmil-images/mine/6yem) | H1N1 2009 PA Endonuclease in complex with Quambalarine B | Descriptor: | 3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Radilova, K, Brynda, J. | Deposit date: | 2020-03-25 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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
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7AS0
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![BU of 7as0 by Molmil](/molmil-images/mine/7as0) | Influenza A PB2 in complex with VX-787 | Descriptor: | (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 | Authors: | Radilova, K, Brynda, J. | Deposit date: | 2020-10-26 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 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
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7AS1
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![BU of 7as1 by Molmil](/molmil-images/mine/7as1) | Influenza A PB2 (F404Y mutation) in complex with VX-787 | Descriptor: | (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 | Authors: | Radilova, K, Brynda, J. | Deposit date: | 2020-10-26 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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
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7AS2
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![BU of 7as2 by Molmil](/molmil-images/mine/7as2) | Influenza A PB2 (M431 mutation) in complex with VX-787 | Descriptor: | (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 | Authors: | Radilova, K, Brynda, J. | Deposit date: | 2020-10-26 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 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
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7AS3
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![BU of 7as3 by Molmil](/molmil-images/mine/7as3) | Influenza A PB2 (H357N mutation) in complex with VX-787 | Descriptor: | (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 | Authors: | Radilova, K, Brynda, J. | Deposit date: | 2020-10-26 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 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
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7ZPY
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4HXG
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![BU of 4hxg by Molmil](/molmil-images/mine/4hxg) | Pyrococcus horikoshii acylaminoacyl peptidase (orthorhombic crystal form) | Descriptor: | CHLORIDE ION, HEXANE-1,6-DIOL, MAGNESIUM ION, ... | Authors: | 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. | Deposit date: | 2012-11-09 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION. J.Biol.Chem., 288, 2013
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4HXF
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![BU of 4hxf by Molmil](/molmil-images/mine/4hxf) | Acylaminoacyl peptidase in complex with Z-Gly-Gly-Phe-chloromethyl ketone | Descriptor: | CHLORIDE ION, HEXANE-1,6-DIOL, MAGNESIUM ION, ... | Authors: | 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. | Deposit date: | 2012-11-09 | Release date: | 2013-05-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION. J.Biol.Chem., 288, 2013
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4HXE
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![BU of 4hxe by Molmil](/molmil-images/mine/4hxe) | Pyrococcus horikoshii acylaminoacyl peptidase (uncomplexed) | Descriptor: | HEXANE-1,6-DIOL, MAGNESIUM ION, Putative uncharacterized protein PH0594 | Authors: | 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. | Deposit date: | 2012-11-09 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION. J.Biol.Chem., 288, 2013
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2HU5
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![BU of 2hu5 by Molmil](/molmil-images/mine/2hu5) | Binding of inhibitors by Acylaminoacyl-peptidase | Descriptor: | Acylamino-acid-releasing enzyme, GLYCEROL, GLYCINE, ... | Authors: | Kiss, A.L, Hornung, B, Radi, K, Gengeliczki, Z, Sztaray, B, Harmat, V, Polgar, L. | Deposit date: | 2006-07-26 | Release date: | 2007-05-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity J.Mol.Biol., 368, 2007
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2HU7
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![BU of 2hu7 by Molmil](/molmil-images/mine/2hu7) | Binding of inhibitors by Acylaminoacyl peptidase | Descriptor: | ACETYL GROUP, Acylamino-acid-releasing enzyme, GLYCEROL, ... | Authors: | Kiss, A.L, Hornung, B, Radi, K, Gengeliczki, Z, Sztaray, B, Harmat, V, Polgar, L. | Deposit date: | 2006-07-26 | Release date: | 2007-05-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity J.Mol.Biol., 368, 2007
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2HU8
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![BU of 2hu8 by Molmil](/molmil-images/mine/2hu8) | Binding of inhibitors by Acylaminoacyl peptidase | Descriptor: | 2-AMINOBENZOIC ACID, Acylamino-acid-releasing enzyme, GLYCINE, ... | Authors: | Kiss, A.L, Hornung, B, Radi, K, Gengeliczki, Z, Sztaray, B, Harmat, V, Polgar, L. | Deposit date: | 2006-07-26 | Release date: | 2007-05-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity J.Mol.Biol., 368, 2007
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5GIK
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![BU of 5gik by Molmil](/molmil-images/mine/5gik) | Modulation of the affinity of a HIV-1 capsid-directed ankyrin towards its viral target through critical amino acid editing | Descriptor: | Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant -S45Y, GLYCEROL | Authors: | 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. | Deposit date: | 2016-06-24 | Release date: | 2017-06-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Modulation of the affinity of a HIV-1 capsid-directed ankyrintowards its viral target through critical amino acid editing To Be Published
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4ZFH
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![BU of 4zfh by Molmil](/molmil-images/mine/4zfh) | Crystal structure of Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant -Y56A | Descriptor: | Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant -Y56A, MAGNESIUM ION | Authors: | 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. | Deposit date: | 2015-04-21 | Release date: | 2016-04-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant- Y56A To Be Published
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6U8G
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![BU of 6u8g by Molmil](/molmil-images/mine/6u8g) | BRD4-BD2 in complex with the cyclic peptide 3.1_2_AcK7toA | Descriptor: | Bromodomain-containing protein 4, cyclic peptide 3.1_2_AcK7toA | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | Deposit date: | 2019-09-05 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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6U72
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![BU of 6u72 by Molmil](/molmil-images/mine/6u72) | BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA | Descriptor: | 3.1_2_AcK5toA, AMINO GROUP, Bromodomain-containing protein 4 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | Deposit date: | 2019-08-31 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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1C5Y
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![BU of 1c5y by Molmil](/molmil-images/mine/1c5y) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | CITRATE ANION, PROTEIN (UROKINASE-TYPE PLASMINOGEN ACTIVATOR), THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | Deposit date: | 1999-12-22 | Release date: | 2000-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 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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1C5Z
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![BU of 1c5z by Molmil](/molmil-images/mine/1c5z) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | BENZAMIDINE, CITRATE ANION, PROTEIN (UROKINASE-TYPE PLASMINOGEN ACTIVATOR) | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | Deposit date: | 1999-12-22 | Release date: | 2000-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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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1C5L
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![BU of 1c5l by Molmil](/molmil-images/mine/1c5l) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | CALCIUM ION, Hirudin, SODIUM ION, ... | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | Deposit date: | 1999-12-22 | Release date: | 2000-12-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | 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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1C5M
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![BU of 1c5m by Molmil](/molmil-images/mine/1c5m) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | PROTEIN (COAGULATION FACTOR X) | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | Deposit date: | 1999-12-22 | Release date: | 2000-12-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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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1C5V
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![BU of 1c5v by Molmil](/molmil-images/mine/1c5v) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | CALCIUM ION, MAGNESIUM ION, PROTEIN (TRYPSIN) | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | Deposit date: | 1999-12-22 | Release date: | 2000-12-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | 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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1C5Q
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![BU of 1c5q by Molmil](/molmil-images/mine/1c5q) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | Deposit date: | 1999-12-22 | Release date: | 2000-12-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | 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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