5C9C
| CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND | 分子名称: | 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase B-raf | 著者 | Edwards, T, Abendroth, J, Chun, L. | 登録日 | 2015-06-26 | 公開日 | 2015-07-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers. Cancer Cell, 28, 2015
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6RJ3
| Crystal structure of PHGDH in complex with compound 15 | 分子名称: | 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | 登録日 | 2019-04-26 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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6RJ5
| Crystal structure of PHGDH in complex with compound 39 | 分子名称: | 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | 登録日 | 2019-04-26 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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6RIH
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6RJ2
| Crystal structure of PHGDH in complex with compound 40 | 分子名称: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | 登録日 | 2019-04-26 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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5ISL
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5IVV
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5IVE
| Linked KDM5A Jmj Domain Bound to the Inhibitor N8 ( 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile) | 分子名称: | 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, MANGANESE (II) ION | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2016-03-20 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.783 Å) | 主引用文献 | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds. Cell Chem Biol, 23, 2016
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5IW0
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5IVC
| Linked KDM5A Jmj Domain Bound to the Inhibitor N3 (4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid) | 分子名称: | 1,2-ETHANEDIOL, 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid, GLYCEROL, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2016-03-20 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.573 Å) | 主引用文献 | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds. Cell Chem Biol, 23, 2016
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5IWF
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6RJ6
| Crystal structure of PHGDH in complex with BI-4924 | 分子名称: | 2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid, D-3-phosphoglycerate dehydrogenase | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | 登録日 | 2019-04-26 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.984 Å) | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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5IVB
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5IVF
| Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol | 分子名称: | 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol, Lysine-specific demethylase 5A, MANGANESE (II) ION | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2016-03-20 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.683 Å) | 主引用文献 | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds. Cell Chem Biol, 23, 2016
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5IVJ
| Linked KDM5A Jmj Domain Bound to the Inhibitor N11 [3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid] | 分子名称: | 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2016-03-21 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.569 Å) | 主引用文献 | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds. Cell Chem Biol, 23, 2016
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5IVY
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6OX0
| SETD3 in Complex with an Actin Peptide with Sinefungin Replacing SAH as Cofactor | 分子名称: | 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ... | 著者 | Horton, J.R, Dai, S, Cheng, X. | 登録日 | 2019-05-13 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.755 Å) | 主引用文献 | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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6OX3
| SETD3 in Complex with an Actin Peptide with His73 Replaced with Lysine | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | 著者 | Horton, J.R, Dai, S, Cheng, X. | 登録日 | 2019-05-13 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.785 Å) | 主引用文献 | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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6OX1
| SETD3 in Complex with an Actin Peptide with Target Histidine Partially Methylated | 分子名称: | 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ... | 著者 | Horton, J.R, Dai, S, Cheng, X. | 登録日 | 2019-05-13 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | 主引用文献 | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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6OX4
| A SETD3 Mutant (N255A) in Complex with an Actin Peptide | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | 著者 | Horton, J.R, Dai, S, Cheng, X. | 登録日 | 2019-05-13 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.294 Å) | 主引用文献 | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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6OX5
| A SETD3 Mutant (N255A) in Complex with an Actin Peptide with His73 Replaced with Lysine | 分子名称: | 1,2-ETHANEDIOL, Actin Peptide, Actin-histidine N-methyltransferase, ... | 著者 | Horton, J.R, Dai, S, Cheng, X. | 登録日 | 2019-05-13 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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6OX2
| SETD3in Complex with an Actin Peptide with the Target Histidine Fully Methylated | 分子名称: | 1,2-ETHANEDIOL, Actin Peptide, GLYCEROL, ... | 著者 | Horton, J.R, Dai, S, Cheng, X. | 登録日 | 2019-05-13 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.089 Å) | 主引用文献 | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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8DGB
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Q192T Mutant in Complex with Inhibitor GC376 | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | 著者 | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | 登録日 | 2022-06-23 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | 主引用文献 | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DD1
| SARS-CoV-2 Main Protease (Mpro) H164N Mutant in Complex with Inhibitor GC376 | 分子名称: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | 著者 | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | 登録日 | 2022-06-17 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DFN
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164N Mutant | 分子名称: | 3C-like proteinase nsp5 | 著者 | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | 登録日 | 2022-06-22 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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