4CJX
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![BU of 4cjx by Molmil](/molmil-images/mine/4cjx) | The crystal structure of Trypanosoma brucei N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor | Descriptor: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, C-1-TETRAHYDROFOLATE SYNTHASE, CYTOPLASMIC, ... | Authors: | Eadsforth, T.C, Hunter, W.N. | Deposit date: | 2013-12-23 | Release date: | 2015-02-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Characterization of 2,4-Diamino-6-Oxo-1,6-Dihydropyrimidin-5-Yl Ureido Based Inhibitors of Trypanosoma Brucei Fold and Testing for Antiparasitic Activity. J.Med.Chem., 58, 2015
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8Q0U
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![BU of 8q0u by Molmil](/molmil-images/mine/8q0u) | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | Descriptor: | Polyketide synthase Pks13, SULFATE ION, ~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide | Authors: | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | Deposit date: | 2023-07-29 | Release date: | 2023-11-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity. J.Med.Chem., 66, 2023
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8Q0T
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![BU of 8q0t by Molmil](/molmil-images/mine/8q0t) | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | Descriptor: | 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide, Polyketide synthase Pks13 | Authors: | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | Deposit date: | 2023-07-29 | Release date: | 2023-11-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity. J.Med.Chem., 66, 2023
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8Q17
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![BU of 8q17 by Molmil](/molmil-images/mine/8q17) | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | Descriptor: | (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, GLYCEROL, Polyketide synthase Pks13, ... | Authors: | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | Deposit date: | 2023-07-30 | Release date: | 2023-11-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity. J.Med.Chem., 66, 2023
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4B4V
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![BU of 4b4v by Molmil](/molmil-images/mine/4b4v) | Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor LY354899 | Descriptor: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ... | Authors: | Eadsforth, T.C, Maluf, F.V, Hunter, W.N. | Deposit date: | 2012-08-01 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure. FEBS J., 279, 2012
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4A26
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![BU of 4a26 by Molmil](/molmil-images/mine/4a26) | The crystal structure of Leishmania major N5,N10- methylenetetrahydrofolate dehydrogenase/cyclohydrolase | Descriptor: | CHLORIDE ION, PUTATIVE C-1-TETRAHYDROFOLATE SYNTHASE, CYTOPLASMIC | Authors: | Eadsforth, T.C, Cameron, S, Hunter, W.N. | Deposit date: | 2011-09-22 | Release date: | 2011-10-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Crystal Structure of Leishmania Major N(5),N(10)-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase and Assessment of a Potential Drug Target. Mol.Biochem.Parasitol., 181, 2012
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4B4W
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![BU of 4b4w by Molmil](/molmil-images/mine/4b4w) | Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and an inhibitor | Descriptor: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ... | Authors: | Eadsforth, T.C, Maluf, F.V, Hunter, W.N. | Deposit date: | 2012-08-01 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure. FEBS J., 279, 2012
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4B4U
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![BU of 4b4u by Molmil](/molmil-images/mine/4b4u) | Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor | Descriptor: | 1,2-ETHANEDIOL, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ... | Authors: | Eadsforth, T.C, Maluf, F.V, Hunter, W.N. | Deposit date: | 2012-08-01 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure. FEBS J., 279, 2012
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4A5O
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![BU of 4a5o by Molmil](/molmil-images/mine/4a5o) | Crystal structure of Pseudomonas aeruginosa N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) | Descriptor: | BIFUNCTIONAL PROTEIN FOLD, DI(HYDROXYETHYL)ETHER, GLYCEROL | Authors: | Eadsforth, T.C, Gardiner, M, Maluf, F.V, McElroy, S, James, D, Frearson, J, Gray, D, Hunter, W.N. | Deposit date: | 2011-10-26 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Assessment of Pseudomonas Aeruginosa N(5),N(10)-Methylenetetrahydrofolate Dehydrogenase - Cyclohydrolase as a Potential Antibacterial Drug Target. Plos One, 7, 2012
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5EKW
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![BU of 5ekw by Molmil](/molmil-images/mine/5ekw) | A. thaliana IGPD2 in complex with the racemate of the triazole-phosphonate inhibitor, C348 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2015-11-04 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide. Angew.Chem.Int.Ed.Engl., 55, 2016
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5EL9
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![BU of 5el9 by Molmil](/molmil-images/mine/5el9) | A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (S)-C348, to 1.1A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Imidazoleglycerol-phosphate dehydratase 2, ... | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2015-11-04 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide. Angew.Chem.Int.Ed.Engl., 55, 2016
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5ELW
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![BU of 5elw by Molmil](/molmil-images/mine/5elw) | A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (R)-C348, to 1.36A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2015-11-05 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide. Angew.Chem.Int.Ed.Engl., 55, 2016
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2F1D
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![BU of 2f1d by Molmil](/molmil-images/mine/2f1d) | X-Ray Structure of imidazoleglycerol-phosphate dehydratase | Descriptor: | Imidazoleglycerol-phosphate dehydratase 1, MANGANESE (II) ION, SULFATE ION | Authors: | Rice, D.W, Glynn, S.E, Baker, P.J, Sedelnikova, S.E, Davies, C.L, Eadsforth, T.C. | Deposit date: | 2005-11-14 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and mechanism of imidazoleglycerol-phosphate dehydratase. Structure, 13, 2005
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5DNX
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![BU of 5dnx by Molmil](/molmil-images/mine/5dnx) | Crystal structure of IGPD from Pyrococcus furiosus in complex with (R)-C348 | Descriptor: | Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION, [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2015-09-10 | Release date: | 2016-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide. Angew.Chem.Int.Ed.Engl., 55, 2016
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5DNL
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![BU of 5dnl by Molmil](/molmil-images/mine/5dnl) | Crystal structure of IGPD from Pyrococcus furiosus in complex with (S)-C348 | Descriptor: | Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION, [(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2015-09-10 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide. Angew.Chem.Int.Ed.Engl., 55, 2016
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4QNJ
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![BU of 4qnj by Molmil](/molmil-images/mine/4qnj) | The structure of wt A. thaliana IGPD2 in complex with Mn2+ and formate at 1.3A resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ... | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2014-06-18 | Release date: | 2015-06-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination. Structure, 23, 2015
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4QNK
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![BU of 4qnk by Molmil](/molmil-images/mine/4qnk) | The structure of wt A. thaliana IGPD2 in complex with Mn2+ and phosphate | Descriptor: | 1,2-ETHANEDIOL, Imidazoleglycerol-phosphate dehydratase 2, chloroplastic, ... | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2014-06-18 | Release date: | 2015-06-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination. Structure, 23, 2015
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2Y5J
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![BU of 2y5j by Molmil](/molmil-images/mine/2y5j) | Crystal structure of Burkholderia cenocepacia dihydropteroate synthase. | Descriptor: | 1,2-ETHANEDIOL, DIHYDROPTEROATE SYNTHASE | Authors: | Morgan, R.E, Batot, G.O, Dement, J.M, Rao, V.A, Eadsforth, T.C, Hunter, W.N. | Deposit date: | 2011-01-13 | Release date: | 2011-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal Structures of Burkholderia Cenocepacia Dihydropteroate Synthase in the Apo-Form and Complexed with the Product 7,8-Dihydropteroate. Bmc Struct.Biol., 11, 2011
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2Y4R
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![BU of 2y4r by Molmil](/molmil-images/mine/2y4r) | CRYSTAL STRUCTURE OF 4-AMINO-4-DEOXYCHORISMATE LYASE FROM PSEUDOMONAS AERUGINOSA | Descriptor: | 1,2-ETHANEDIOL, 4-AMINO-4-DEOXYCHORISMATE LYASE, CHLORIDE ION, ... | Authors: | O'Rourke, P.E.F, Eadsforth, T.C, Fyfe, P.K, Shepard, S.M, Agacan, M, Hunter, W.N. | Deposit date: | 2011-01-10 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Pseudomonas Aeruginosa 4-Amino-4-Deoxychorismate Lyase: Spatial Conservation of an Active Site Tyrosine and Classification of Two Types of Enzyme. Plos One, 6, 2011
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2Y5S
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![BU of 2y5s by Molmil](/molmil-images/mine/2y5s) | Crystal structure of Burkholderia cenocepacia dihydropteroate synthase complexed with 7,8-dihydropteroate. | Descriptor: | 1,2-ETHANEDIOL, 7,8-DIHYDROPTEROATE, CHLORIDE ION, ... | Authors: | Morgan, R.E, Batot, G.O, Dement, J.M, Rao, V.A, Eadsforth, T.C, Hunter, W.N. | Deposit date: | 2011-01-17 | Release date: | 2011-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structures of Burkholderia Cenocepacia Dihydropteroate Synthase in the Apo-Form and Complexed with the Product 7,8-Dihydropteroate. Bmc Struct.Biol., 11, 2011
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4BHX
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![BU of 4bhx by Molmil](/molmil-images/mine/4bhx) | Crystal structure of the SCAN domain from human paternally expressed gene 3 protein | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PATERNALLY-EXPRESSED GENE 3 PROTEIN, ... | Authors: | Rimsa, V, Eadsforth, T.C, Hunter, W.N. | Deposit date: | 2013-04-09 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the Scan Domain of Human Paternally Expressed Gene 3 Protein. Plos One, 8, 2013
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4B6Z
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![BU of 4b6z by Molmil](/molmil-images/mine/4b6z) | Crystal structure of metallo-carboxypeptidase from Burkholderia cenocepacia | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Rimsa, V, Eadsforth, T.C, Joosten, R.P, Hunter, W.N. | Deposit date: | 2012-08-16 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-Resolution Structure of the M14-Type Cytosolic Carboxypeptidase from Burkholderia Cenocepacia Refined Exploiting Pdb_Redo Strategies. Acta Crystallogr.,Sect.D, 70, 2014
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4CA1
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![BU of 4ca1 by Molmil](/molmil-images/mine/4ca1) | Crystal structure of Siah1 at 1.58 A resolution. | Descriptor: | CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE SIAH1, GLYCEROL, ... | Authors: | Rimsa, V, Eadsforth, T.C, Hunter, W.N. | Deposit date: | 2013-10-04 | Release date: | 2013-10-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Two High-Resolution Structures of the Human E3 Ubiquitin Ligase Siah1. Acta Crystallogr.,Sect.F, 96, 2013
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4C9Z
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![BU of 4c9z by Molmil](/molmil-images/mine/4c9z) | Crystal structure of Siah1 at 1.95 A resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE SIAH1, ... | Authors: | Rimsa, V, Eadsforth, T.C, Hunter, W.N. | Deposit date: | 2013-10-04 | Release date: | 2013-10-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Two High-Resolution Structures of the Human E3 Ubiquitin Ligase Siah1. Acta Crystallogr.,Sect.F, 96, 2013
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5NFH
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![BU of 5nfh by Molmil](/molmil-images/mine/5nfh) | Trypanosoma brucei methionyl-tRNA synthetase in complex with a quinazolinone inhibitor | Descriptor: | 2-[3-[[4,6-bis(chloranyl)-1~{H}-indol-2-yl]methylamino]propylamino]-3~{H}-quinazolin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Robinson, D.A, Eadsforth, T.C, Shepherd, S.M, Torrie, L.S, De Rycker, M, Gilbert, I.H. | Deposit date: | 2017-03-14 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Chemical Validation of Methionyl-tRNA Synthetase as a Druggable Target in Leishmania donovani. ACS Infect Dis, 3, 2017
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