8Q0U
 
 | | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | | 分子名称: | 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 | | 著者 | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | | 登録日 | 2023-07-29 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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
 | | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | | 分子名称: | 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide, Polyketide synthase Pks13 | | 著者 | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | | 登録日 | 2023-07-29 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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
 | | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | | 分子名称: | (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, GLYCEROL, Polyketide synthase Pks13, ... | | 著者 | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | | 登録日 | 2023-07-30 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | 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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4CJX
 | | The crystal structure of Trypanosoma brucei N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor | | 分子名称: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, C-1-TETRAHYDROFOLATE SYNTHASE, CYTOPLASMIC, ... | | 著者 | Eadsforth, T.C, Hunter, W.N. | | 登録日 | 2013-12-23 | | 公開日 | 2015-02-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | 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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4A5O
 | | Crystal structure of Pseudomonas aeruginosa N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) | | 分子名称: | BIFUNCTIONAL PROTEIN FOLD, DI(HYDROXYETHYL)ETHER, GLYCEROL | | 著者 | Eadsforth, T.C, Gardiner, M, Maluf, F.V, McElroy, S, James, D, Frearson, J, Gray, D, Hunter, W.N. | | 登録日 | 2011-10-26 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | 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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4B4V
 | | Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor LY354899 | | 分子名称: | 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, ... | | 著者 | Eadsforth, T.C, Maluf, F.V, Hunter, W.N. | | 登録日 | 2012-08-01 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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
 | | The crystal structure of Leishmania major N5,N10- methylenetetrahydrofolate dehydrogenase/cyclohydrolase | | 分子名称: | CHLORIDE ION, PUTATIVE C-1-TETRAHYDROFOLATE SYNTHASE, CYTOPLASMIC | | 著者 | Eadsforth, T.C, Cameron, S, Hunter, W.N. | | 登録日 | 2011-09-22 | | 公開日 | 2011-10-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | 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
 | | Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and an inhibitor | | 分子名称: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ... | | 著者 | Eadsforth, T.C, Maluf, F.V, Hunter, W.N. | | 登録日 | 2012-08-01 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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
 | | Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor | | 分子名称: | 1,2-ETHANEDIOL, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ... | | 著者 | Eadsforth, T.C, Maluf, F.V, Hunter, W.N. | | 登録日 | 2012-08-01 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | 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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2F1D
 | | X-Ray Structure of imidazoleglycerol-phosphate dehydratase | | 分子名称: | Imidazoleglycerol-phosphate dehydratase 1, MANGANESE (II) ION, SULFATE ION | | 著者 | Rice, D.W, Glynn, S.E, Baker, P.J, Sedelnikova, S.E, Davies, C.L, Eadsforth, T.C. | | 登録日 | 2005-11-14 | | 公開日 | 2006-01-24 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure and mechanism of imidazoleglycerol-phosphate dehydratase.
Structure, 13, 2005
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5DNX
 | | Crystal structure of IGPD from Pyrococcus furiosus in complex with (R)-C348 | | 分子名称: | Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION, [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid | | 著者 | 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. | | 登録日 | 2015-09-10 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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
 | | Crystal structure of IGPD from Pyrococcus furiosus in complex with (S)-C348 | | 分子名称: | Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION, [(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid | | 著者 | 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. | | 登録日 | 2015-09-10 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | 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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5EKW
 | | A. thaliana IGPD2 in complex with the racemate of the triazole-phosphonate inhibitor, C348 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | 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. | | 登録日 | 2015-11-04 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | 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
 | | A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (S)-C348, to 1.1A resolution | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Imidazoleglycerol-phosphate dehydratase 2, ... | | 著者 | 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. | | 登録日 | 2015-11-04 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | 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
 | | A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (R)-C348, to 1.36A resolution | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | 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. | | 登録日 | 2015-11-05 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 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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4QNK
 | | The structure of wt A. thaliana IGPD2 in complex with Mn2+ and phosphate | | 分子名称: | 1,2-ETHANEDIOL, Imidazoleglycerol-phosphate dehydratase 2, chloroplastic, ... | | 著者 | 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. | | 登録日 | 2014-06-18 | | 公開日 | 2015-06-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | 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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4QNJ
 | | The structure of wt A. thaliana IGPD2 in complex with Mn2+ and formate at 1.3A resolution | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ... | | 著者 | 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. | | 登録日 | 2014-06-18 | | 公開日 | 2015-06-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | 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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2XPH
 | | Crystal structure of human SENP1 with the bound cobalt | | 分子名称: | COBALT (II) ION, GLYCEROL, SENTRIN-SPECIFIC PROTEASE 1 | | 著者 | Rimsa, V, Eadsforth, T, Hay, R.T, Hunter, W.N. | | 登録日 | 2010-08-26 | | 公開日 | 2010-09-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The Role of Co2+ in the Crystallization of Human Senp1 and Comments on the Limitations of Automated Refinement Protocols
Acta Crystallogr.,Sect.F, 67, 2011
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2Y4R
 | | CRYSTAL STRUCTURE OF 4-AMINO-4-DEOXYCHORISMATE LYASE FROM PSEUDOMONAS AERUGINOSA | | 分子名称: | 1,2-ETHANEDIOL, 4-AMINO-4-DEOXYCHORISMATE LYASE, CHLORIDE ION, ... | | 著者 | O'Rourke, P.E.F, Eadsforth, T.C, Fyfe, P.K, Shepard, S.M, Agacan, M, Hunter, W.N. | | 登録日 | 2011-01-10 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | 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
 | | Crystal structure of Burkholderia cenocepacia dihydropteroate synthase complexed with 7,8-dihydropteroate. | | 分子名称: | 1,2-ETHANEDIOL, 7,8-DIHYDROPTEROATE, CHLORIDE ION, ... | | 著者 | Morgan, R.E, Batot, G.O, Dement, J.M, Rao, V.A, Eadsforth, T.C, Hunter, W.N. | | 登録日 | 2011-01-17 | | 公開日 | 2011-01-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | 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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2XRE
 | | Detection of cobalt in previously unassigned human SENP1 structure | | 分子名称: | COBALT (II) ION, GLYCEROL, SENTRIN-SPECIFIC PROTEASE 1 | | 著者 | Rimsa, V, Eadsforth, T, Hay, R.T, Hunter, W.N. | | 登録日 | 2010-09-14 | | 公開日 | 2010-10-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | The Role of Co2+ in the Crystallization of Human Senp1 and Comments on the Limitations of Automated Refinement Protocols
Acta Crystallogr.,Sect.F, 67, 2011
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2Y5J
 | | Crystal structure of Burkholderia cenocepacia dihydropteroate synthase. | | 分子名称: | 1,2-ETHANEDIOL, DIHYDROPTEROATE SYNTHASE | | 著者 | Morgan, R.E, Batot, G.O, Dement, J.M, Rao, V.A, Eadsforth, T.C, Hunter, W.N. | | 登録日 | 2011-01-13 | | 公開日 | 2011-01-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | 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
 | | Crystal structure of the SCAN domain from human paternally expressed gene 3 protein | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PATERNALLY-EXPRESSED GENE 3 PROTEIN, ... | | 著者 | Rimsa, V, Eadsforth, T.C, Hunter, W.N. | | 登録日 | 2013-04-09 | | 公開日 | 2013-04-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure of the Scan Domain of Human Paternally Expressed Gene 3 Protein.
Plos One, 8, 2013
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4B6Z
 | | Crystal structure of metallo-carboxypeptidase from Burkholderia cenocepacia | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Rimsa, V, Eadsforth, T.C, Joosten, R.P, Hunter, W.N. | | 登録日 | 2012-08-16 | | 公開日 | 2013-03-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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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4C9Z
 | | Crystal structure of Siah1 at 1.95 A resolution | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE SIAH1, ... | | 著者 | Rimsa, V, Eadsforth, T.C, Hunter, W.N. | | 登録日 | 2013-10-04 | | 公開日 | 2013-10-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Two High-Resolution Structures of the Human E3 Ubiquitin Ligase Siah1.
Acta Crystallogr.,Sect.F, 96, 2013
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