PDB: 299 件ウェブページステータス検索Chemie searchBIRD

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4AJP	Human LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol- 6yl)amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid 分子名称: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, SULFATE ION, ... 著者 Tucker, J.A, Brassington, C, Caputo, A, Ward, R, Pearson, S, Watson, M, Tart, J, Davies, G. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4AJ2	rat LDHA in complex with 5-(2-chlorophenyl)-1H-tetrazole 分子名称: 5-(2-CHLOROPHENYL)-1H-TETRAZOLE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... 著者 Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Frazer, M. 登録日 2012-02-15 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4AJE	rat LDHA in complex with 2-(4-bromophenoxy)propanedioic acid 分子名称: 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... 著者 Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Pearson, S. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4AJO	rat LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol-6yl) amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... 著者 Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4AJL	rat LDHA in complex with 3-(ethylcarbamoylamino)-N-(2-methyl-1,3- benzothiazol-6-yl)propanamide 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... 著者 Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Addie, M, Ferguson, A. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4AJI	rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid 分子名称: 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, L-LACTATE DEHYDROGENASE A CHAIN 著者 Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Debreczeni, J. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4AL4	rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)3-oxo-propyl)carbamoylamino)ethoxy)phenyl)methylpropanedioic acid 分子名称: 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN 著者 Tucker, J.A, Brassington, C, Hassall, G, Ward, R, Tart, J, Davies, G, Hohson, M, Pearson, S. 登録日 2012-03-01 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4AJK	rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide 分子名称: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ... 著者 Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Greenwood, R. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4OKN	Crystal structure of human muscle L-lactate dehydrogenase, ternary complex with NADH and oxalate 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, KANAMYCIN A, L-lactate dehydrogenase A chain, ... 著者 Kolappan, S, Craig, L. 登録日 2014-01-22 公開日 2014-12-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms. Acta Crystallogr.,Sect.D, 71, 2015
4PLV	Crystal structure of ancestral apicomplexan malate dehydrogenase with lactate. 分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, malate dehydrogenase 著者 Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. 登録日 2014-05-19 公開日 2014-07-02 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases. Elife, 3, 2014
4Q3N	Crystal structure of MGS-M5, a lactate dehydrogenase enzyme from a Medee basin deep-sea metagenome library 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CHLORIDE ION, ... 著者 Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A. 登録日 2014-04-11 公開日 2015-02-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats. Environ Microbiol, 17, 2015
4QO7	Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 7 分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Eigenbrot, C, Ultsch, M. 登録日 2014-06-19 公開日 2014-07-16 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 24, 2014
4QT0	Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 1, 3-{[3-CARBAMOYL-7-(2,4-DIMETHOXYPYRIMIDIN-5-YL)QUINOLIN-4-YL]AMINO}BENZOIC ACID 分子名称: 3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid, L-lactate dehydrogenase A chain 著者 Kolappan, S, Craig, L. 登録日 2014-07-06 公開日 2014-12-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms. Acta Crystallogr.,Sect.D, 71, 2015
4R69	Lactate Dehydrogenase in complex with inhibitor compound 13 分子名称: (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Eigenbrot, C, Ultsch, M. 登録日 2014-08-22 公開日 2014-12-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.19 Å) 主引用文献 Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 25, 2014
4PLH	Crystal structure of ancestral apicomplexan malate dehydrogenase with oxamate. 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, OXAMIC ACID, SODIUM ION, ... 著者 Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. 登録日 2014-05-16 公開日 2014-07-02 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases. Elife, 3, 2014
4R68	Lactate Dehydrogenase in complex with inhibitor compound 31 分子名称: (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Eigenbrot, C, Ultsch, M. 登録日 2014-08-22 公開日 2014-12-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.112 Å) 主引用文献 Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 25, 2014
4QSM	Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 2, 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid 分子名称: 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid, L-lactate dehydrogenase A chain 著者 Kolappan, S, Craig, L. 登録日 2014-07-06 公開日 2014-12-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms. Acta Crystallogr.,Sect.D, 71, 2015
4PLW	Crystal structure of ancestral apicomplexan malate dehydrogenase with lactate. 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PHOSPHATE ION, malate dehydrogenase 著者 Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. 登録日 2014-05-19 公開日 2014-07-02 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases. Elife, 3, 2014
4PLC	Crystal structure of ancestral apicomplexan lactate dehydrogenase with malate. 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID, ... 著者 Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. 登録日 2014-05-16 公開日 2014-07-02 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases. Elife, 3, 2014
4QO8	Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104 分子名称: (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Eigenbrot, C, Ultsch, M. 登録日 2014-06-19 公開日 2014-07-16 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.001 Å) 主引用文献 Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 24, 2014
4PLF	Crystal structure of ancestral apicomplexan lactate dehydrogenase with lactate. 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID, ... 著者 Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. 登録日 2014-05-16 公開日 2014-07-02 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases. Elife, 3, 2014
4PLZ	Crystal structure of Plasmodium falciparum lactate dehydrogenase mutant W107fA. 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase, OXAMIC ACID 著者 Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. 登録日 2014-05-20 公開日 2014-07-02 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases. Elife, 3, 2014
4PLY	Crystal structure of ancestral apicomplexan malate dehydrogenase with malate. 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PYRUVIC ACID, malate dehydrogenase 著者 Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. 登録日 2014-05-19 公開日 2014-07-02 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases. Elife, 3, 2014
4PLG	Crystal structure of ancestral apicomplexan lactate dehydrogenase with oxamate. 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, OXAMIC ACID, SODIUM ION, ... 著者 Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. 登録日 2014-05-16 公開日 2014-07-02 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.192 Å) 主引用文献 An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases. Elife, 3, 2014
4ROS	Crystal structure of Methylobacterium extorquens malate dehydrogenase complexed with oxaloacetate and adenosine-5-diphosphoribose 分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, Malate dehydrogenase, ... 著者 Gonzalez, J.M, Marti-Arbona, R, Unkefer, C.J. 登録日 2014-10-28 公開日 2014-12-17 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structure of Methylobacterium extorquens malate dehydrogenase complexed with oxaloacetate and adenosine-5-diphosphoribose To be Published

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