PDB: 5591 件ウェブページステータス検索Chemie searchBIRD

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8FDY	Human GAR transformylase in complex with GAR substrate and AGF132 inhibitor 分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]pyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase 著者 Wong-Roushar, J, Dann III, C.E. 登録日 2022-12-05 公開日 2023-05-10 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
8FDZ	Human GAR transformylase in complex with GAR substrate and AGF302 inhibitor 分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase 著者 Wong-Roushar, J, Dann III, C.E. 登録日 2022-12-05 公開日 2023-05-10 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
8FE0	Human GAR transformylase in complex with GAR substrate and AGF305 inhibitor 分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase 著者 Wong-Roushar, J, Dann III, C.E. 登録日 2022-12-05 公開日 2023-05-10 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
8FDX	AGF271 and GAR in complex with human recombinant GARFTase, ligase, purine biosynthesis, transfers formyl group from 10-formyl tetrahydrofolate to glycinamide ribonucleotide (GAR) to form tetrahydrofolate and formyl GAR 分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 著者 Nyman, M.C, Wong-Roushar, J, Dann III, C.E. 登録日 2022-12-05 公開日 2023-05-10 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
8FJW	Human GAR transformylase in complex with GAR substrate and AGF347 inhibitor 分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 著者 Wong-Roushar, J, Dann III, C.E. 登録日 2022-12-20 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
8G8F	Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction 分子名称: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... 著者 O'Neill, A.G, Kollman, J.M. 登録日 2023-02-17 公開日 2023-04-19 最終更新日 2023-08-09 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
8G7M	ATP-bound mtHsp60 V72I focus 分子名称: 60 kDa heat shock protein, mitochondrial, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. 登録日 2023-02-16 公開日 2023-07-12 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly. Biorxiv, 2023
8G7L	ATP-bound mtHsp60 V72I 分子名称: 60 kDa heat shock protein, mitochondrial, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. 登録日 2023-02-16 公開日 2023-07-12 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (2.5 Å) 主引用文献 Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly. Biorxiv, 2023
8G7O	ATP- and mtHsp10-bound mtHsp60 V72I focus 分子名称: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... 著者 Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. 登録日 2023-02-16 公開日 2023-07-12 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly. Biorxiv, 2023
8G7N	ATP- and mtHsp10-bound mtHsp60 V72I 分子名称: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... 著者 Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. 登録日 2023-02-16 公開日 2023-07-12 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (2.7 Å) 主引用文献 Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly. Biorxiv, 2023
8G7J	mtHsp60 V72I apo 分子名称: 60 kDa heat shock protein, mitochondrial 著者 Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. 登録日 2023-02-16 公開日 2023-07-12 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly. Biorxiv, 2023
8G7K	mtHsp60 V72I apo focus 分子名称: 60 kDa heat shock protein, mitochondrial 著者 Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. 登録日 2023-02-16 公開日 2023-07-12 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly. Biorxiv, 2023
8X6P	Isomerase Protein 分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION 著者 Guven, O, Demirci, H. 登録日 2023-11-21 公開日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Isomerase Protein To Be Published
8G9B	Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction 分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... 著者 O'Neill, A.G, Kollman, J.M. 登録日 2023-02-21 公開日 2023-04-19 最終更新日 2023-08-09 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
8FJV	Human GAR transformylase in complex with GAR substrate and AGF362 inhibitor 分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 著者 Wong-Roushar, J, Dann III, C.E. 登録日 2022-12-20 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
8FJX	Human GAR transformylase in complex with GAR substrate and AGF320 inhibitor 分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 著者 Wong-Roushar, J, Dann III, C.E. 登録日 2022-12-20 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
8FJY	Human GAR transformylase in complex with GAR substrate and AGF291 inhibitor 分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 著者 Wong-Roushar, J, Dann III, C.E. 登録日 2022-12-20 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.98 Å) 主引用文献 Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
8WKO	Crystal structure of O-acetylhomoserine sulfhydrylase from Lactobacillus plantarum in the closed form 分子名称: (2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid, L-methionine gamma-lyase, PROLINE, ... 著者 Oda, K, Matoba, Y. 登録日 2023-09-28 公開日 2024-02-14 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 pH-dependent regulation of an acidophilic O -acetylhomoserine sulfhydrylase from Lactobacillus plantarum. Appl.Environ.Microbiol., 90, 2024
8WKR	Crystal structure of O-acetylhomoserine sulfhydrylase from Lactobacillus plantarum in the open form 分子名称: (2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid, L-methionine gamma-lyase, PROLINE 著者 Oda, K, Matoba, Y. 登録日 2023-09-28 公開日 2024-02-14 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 pH-dependent regulation of an acidophilic O -acetylhomoserine sulfhydrylase from Lactobacillus plantarum. Appl.Environ.Microbiol., 90, 2024
6AQY	Crystal structure of a gdp-l-fucose synthetase from Naegleria fowleri 分子名称: CHLORIDE ION, SULFATE ION, gdp-l-fucose synthetase 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2017-08-21 公開日 2017-08-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Crystal structure of a gdp-l-fucose synthetase from Naegleria fowleri To Be Published
6AZU	Holo IDO1 crystal structure 分子名称: Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Lewis, H.A, Yan, C. 登録日 2017-09-13 公開日 2018-03-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.822 Å) 主引用文献 Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6X5Y	IDO1 in complex with compound 4 分子名称: 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 著者 Lesburg, C.A, Lammens, A. 登録日 2020-05-27 公開日 2021-06-02 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors To Be Published
6BAC	Crystal Structure of Aspartate-Semialdehyde Dehydrogenase from Neisseria gonorrhoeae 分子名称: 1,2-ETHANEDIOL, Aspartate-semialdehyde dehydrogenase, SULFATE ION 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2017-10-12 公開日 2017-10-25 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure of Aspartate-Semialdehyde Dehydrogenase from Neisseria gonorrhoeae to be published
6VCU	Homo sapiens FKBP12 protein bound with APX879 in P32 space group 分子名称: ACETATE ION, N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide, Peptidyl-prolyl cis-trans isomerase FKBP1A 著者 Gobeil, S, Spicer, L. 登録日 2019-12-23 公開日 2020-12-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs. Mbio, 12, 2021
5JQW	The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP 分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, N5-carboxyaminoimidazole ribonucleotide synthase 著者 Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2016-05-05 公開日 2016-05-18 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP To Be Published

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