5SCG
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![BU of 5scg by Molmil](/molmil-images/mine/5scg) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 101 | Descriptor: | (3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.937 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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5SCB
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![BU of 5scb by Molmil](/molmil-images/mine/5scb) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 28 | Descriptor: | (3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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5SCC
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![BU of 5scc by Molmil](/molmil-images/mine/5scc) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 57 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.885 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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5SC9
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![BU of 5sc9 by Molmil](/molmil-images/mine/5sc9) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 29 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.685 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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5SCL
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![BU of 5scl by Molmil](/molmil-images/mine/5scl) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 1 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, ALIZARIN RED, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.134 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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5SCE
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![BU of 5sce by Molmil](/molmil-images/mine/5sce) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 55 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.147 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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5SCH
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![BU of 5sch by Molmil](/molmil-images/mine/5sch) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 100 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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5SCD
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![BU of 5scd by Molmil](/molmil-images/mine/5scd) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 58 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.041 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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5SC8
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![BU of 5sc8 by Molmil](/molmil-images/mine/5sc8) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 17 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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5SCA
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![BU of 5sca by Molmil](/molmil-images/mine/5sca) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 36 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.918 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
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1OBC
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![BU of 1obc by Molmil](/molmil-images/mine/1obc) | LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A POST-TRANSFER EDITING SUBSTRATE ANALOGUE | Descriptor: | 2'-AMINO-2'-DEOXYADENOSINE, LEUCINE, LEUCYL-TRNA SYNTHETASE, ... | Authors: | Cusack, S, Yaremchuk, A, Tukalo, M. | Deposit date: | 2003-01-30 | Release date: | 2003-05-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Mechanistic Basis of Pre- and Posttransfer Editing by Leucyl-tRNA Synthetase Mol.Cell, 11, 2003
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1OBH
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![BU of 1obh by Molmil](/molmil-images/mine/1obh) | LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A PRE-TRANSFER EDITING SUBSTRATE ANALOGUE IN BOTH SYNTHETIC ACTIVE SITE AND EDITING SITE | Descriptor: | LEUCYL-TRNA SYNTHETASE, MERCURY (II) ION, NORVALINE, ... | Authors: | Cusack, S, Yaremchuk, A, Tukalo, M. | Deposit date: | 2003-01-31 | Release date: | 2003-05-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Mechanistic Basis of Pre- and Posttransfer Editing by Leucyl-tRNA Synthetase Mol.Cell, 11, 2003
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7QDN
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![BU of 7qdn by Molmil](/molmil-images/mine/7qdn) | |
6YJF
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![BU of 6yjf by Molmil](/molmil-images/mine/6yjf) | Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from PEGSmear at pH 6.5 | Descriptor: | (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one, GLYCEROL, Phosphoglycerate kinase | Authors: | Hyvonen, M, Brear, P, Blaszczyk, B.K. | Deposit date: | 2020-04-03 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Phosphoglycerate Kinase as a potential target for antimalarial therapy to be published
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8FBQ
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![BU of 8fbq by Molmil](/molmil-images/mine/8fbq) | Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 12b | Descriptor: | 1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine, ACETATE ION, CHLORIDE ION, ... | Authors: | Fenwick, M.K, Staker, B.L, Lovell, S.W, Phan, I.Q, Early, J, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-11-29 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of potent and selective N-myristoyltransferase inhibitors of Plasmodium vivax liver stage hypnozoites and schizonts. Nat Commun, 14, 2023
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2XGT
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![BU of 2xgt by Molmil](/molmil-images/mine/2xgt) | Asparaginyl-tRNA synthetase from Brugia malayi complexed with the sulphamoyl analogue of asparaginyl-adenylate | Descriptor: | 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, ASPARAGINYL-TRNA SYNTHETASE, CYTOPLASMIC, ... | Authors: | Crepin, T, Haertlein, M, Kron, M, Cusack, S. | Deposit date: | 2010-06-07 | Release date: | 2010-12-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Hybrid Structural Model of the Complete Brugia Malayi Cytoplasmic Asparaginyl-tRNA Synthetase. J.Mol.Biol., 405, 2011
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2XTI
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![BU of 2xti by Molmil](/molmil-images/mine/2xti) | Asparaginyl-tRNA synthetase from Brugia malayi complexed with ATP:Mg and L-Asp-beta-NOH adenylate:PPi:Mg | Descriptor: | 5'-O-[(R)-{[(2S)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine, ADENOSINE-5'-TRIPHOSPHATE, ASPARAGINYL-TRNA SYNTHETASE, ... | Authors: | Crepin, T, Haertlein, M, Kron, M, Cusack, S. | Deposit date: | 2010-10-10 | Release date: | 2010-12-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Hybrid Structural Model of the Complete Brugia Malayi Cytoplasmic Asparaginyl-tRNA Synthetase. J.Mol.Biol., 405, 2011
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1H4Q
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![BU of 1h4q by Molmil](/molmil-images/mine/1h4q) | Prolyl-tRNA synthetase from Thermus thermophilus complexed with tRNApro(CGG), ATP and prolinol | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, PROLYL-TRNA SYNTHETASE, PYRROLIDINE-2-CARBALDEHYDE, ... | Authors: | Yaremchuk, A, Tukalo, M, Cusack, S. | Deposit date: | 2001-05-13 | Release date: | 2001-06-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Succession of Substrate Induced Conformational Changes Ensures the Amino Acid Specificity of Thermus Thermophilus Prolyl-tRNA Synthetase: Comparison with Histidyl-tRNA Synthetase J.Mol.Biol., 309, 2001
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1H4S
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![BU of 1h4s by Molmil](/molmil-images/mine/1h4s) | Prolyl-tRNA synthetase from Thermus thermophilus complexed with tRNApro(CGG) and a prolyl-adenylate analogue | Descriptor: | '5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINE, PROLYL-TRNA SYNTHETASE, SULFATE ION, ... | Authors: | Yaremchuk, A, Tukalo, M, Cusack, S. | Deposit date: | 2001-05-14 | Release date: | 2001-06-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A Succession of Substrate Induced Conformational Changes Ensures the Amino Acid Specificity of Thermus Thermophilus Prolyl-tRNA Synthetase: Comparison with Histidyl-tRNA Synthetase J.Mol.Biol., 309, 2001
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1H4T
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![BU of 1h4t by Molmil](/molmil-images/mine/1h4t) | |
1HC7
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![BU of 1hc7 by Molmil](/molmil-images/mine/1hc7) | Prolyl-tRNA synthetase from Thermus thermophilus | Descriptor: | PROLYL-TRNA SYNTHETASE, ZINC ION | Authors: | Yaremchuk, A, Tukalo, M, Cusack, S. | Deposit date: | 2001-04-26 | Release date: | 2001-06-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | A Succession of Substrate Induced Conformational Changes Ensures the Amino Acid Specificity of Thermus Thermophilus Prolyl-tRNA Synthetase: Comparison with Histidyl-tRNA Synthetase J.Mol.Biol., 309, 2001
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1H4V
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![BU of 1h4v by Molmil](/molmil-images/mine/1h4v) | |
1H3N
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![BU of 1h3n by Molmil](/molmil-images/mine/1h3n) | Leucyl-tRNA synthetase from Thermus thermophilus complexed with a sulphamoyl analogue of leucyl-adenylate | Descriptor: | LEUCINE, LEUCYL-TRNA SYNTHETASE, SULFATE ION, ... | Authors: | Cusack, S, Yaremchuk, A, Tukalo, M. | Deposit date: | 2002-09-11 | Release date: | 2002-09-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 2A Structure of Leucyl-tRNA Synthetase and its Complex with a Leucyl-Adenylate Analogue Embo J., 19, 2000
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