PDB: 161010 件ウェブページステータス検索Chemie searchBIRD

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8Q4P	Crystal structure of YTHDC1 in complex with Compound 27 (ZA_309) 分子名称: 2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-07 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q2R	Crystal structure of YTHDC1 in complex with Compound 3 (ZA_431) 分子名称: 5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Li, Y, Caflisch, A. 登録日 2023-08-03 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q2Y	Crystal structure of YTHDC1 in complex with Compound 11 (ZA_572) 分子名称: 2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-03 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q3G	Crystal structure of YTHDC1 in complex with Compound 23 (ZA_385) 分子名称: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-04 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q4W	Crystal structure of YTHDC1 in complex with Compound 40 (CS_3a) 分子名称: 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-07 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q2X	Crystal structure of YTHDC1 in complex with Compound 10 (ZA_294) 分子名称: 3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-03 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q2S	Crystal structure of YTHDC1 in complex with Compound 4 (ZA_232) 分子名称: 2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-03 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q3A	Crystal structure of YTHDC1 in complex with Compound 22 (ZA_393) 分子名称: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-03 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q35	Crystal structure of YTHDC1 in complex with Compound 16 (ZA_354) 分子名称: 9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-03 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q4N	Crystal structure of YTHDC1 in complex with Compound 26 (ZA_513) 分子名称: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-07 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q2U	Crystal structure of YTHDC1 in complex with Compound 6 (ZA_308) 分子名称: 2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-03 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q2V	Crystal structure of YTHDC1 in complex with Compound 7 (ZA_560) 分子名称: 2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-03 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q37	Crystal structure of YTHDC1 in complex with Compound 18 (ZA_312) 分子名称: 2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-03 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q39	Crystal structure of YTHDC1 in complex with Compound 21 (ZA_515) 分子名称: 2-chloranyl-N-methyl-9-[[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-03 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q4M	Crystal structure of YTHDC1 in complex with Compound 25 (ZA_349) 分子名称: 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-07 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
8Q4T	Crystal structure of YTHDC1 in complex with Compound 31 (ZA_400) 分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-07 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
7WCV	Co-crystal structure of FTO bound to 6e 分子名称: 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-pyridin-4-yl-phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ... 著者 Yang, C.-G, Gan, J.H. 登録日 2021-12-20 公開日 2022-07-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Activity Relationships and Antileukemia Effects of the Tricyclic Benzoic Acid FTO Inhibitors. J.Med.Chem., 65, 2022
6RMF	Crystal structure of NDM-1 with VNRX-5133 分子名称: (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Metallo-beta-lactamase type 2, ... 著者 Hinchliffe, P, Spencer, J, Brem, J, Schofield, C.J. 登録日 2019-05-06 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases. J.Med.Chem., 62, 2019
8AAK	Crystal structure of the PDZ tandem of syntenin in complex with compound 29 分子名称: (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid, GLYCEROL, Syntenin-1 著者 Feracci, M, Barral, K. 登録日 2022-07-01 公開日 2023-04-26 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.554 Å) 主引用文献 Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach. J.Med.Chem., 66, 2023
8AAP	Crystal structure of the PDZ tandem of syntenin in complex with compound SYNTi 分子名称: (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid, Syntenin-1 著者 Feracci, M, Barral, K. 登録日 2022-07-01 公開日 2023-04-26 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.174 Å) 主引用文献 Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach. J.Med.Chem., 66, 2023
8AAO	Crystal structure of the PDZ tandem of syntenin in complex with compound 95 分子名称: (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid, Syntenin-1 著者 Feracci, M, Barral, K. 登録日 2022-07-01 公開日 2023-04-26 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.469 Å) 主引用文献 Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach. J.Med.Chem., 66, 2023
8AAI	Crystal structure of the PDZ tandem of syntenin in complex with fragment E5 分子名称: (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid, Syntenin-1 著者 Feracci, M, Barral, K. 登録日 2022-07-01 公開日 2023-04-26 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.76 Å) 主引用文献 Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach. J.Med.Chem., 66, 2023
6XUG	Human Ecto-5'-nucleotidase (CD73) in complex with A2410 (compound 53 in publication) in the closed form in crystal form IV 分子名称: 4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole, 5'-nucleotidase, CALCIUM ION, ... 著者 Strater, N. 登録日 2020-01-19 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73. J.Med.Chem., 63, 2020
6XUQ	Human Ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1b in publication) in the closed state in crystal form III 分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ... 著者 Strater, N. 登録日 2020-01-20 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73. J.Med.Chem., 63, 2020
8BQ4	Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an inhibitor 分子名称: 6-methyl-~{N}-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine, Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma 著者 Ogg, D.J, Howard, T.D. 登録日 2022-11-18 公開日 2022-12-28 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 The Identification of Potent, Selective, and Brain Penetrant PI5P4K gamma Inhibitors as In Vivo-Ready Tool Molecules. J.Med.Chem., 66, 2023

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