PDB: 159343 件ウェブページステータス検索Chemie searchBIRD

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7NXY	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-181 分子名称: 14-3-3 protein sigma, 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-03-19 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7O3S	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-045 分子名称: 14-3-3 protein sigma, 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-04-02 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7O5S	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-167 分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-04-09 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7NVI	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-186 分子名称: 14-3-3 protein sigma, 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-03-15 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7O6J	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-083 分子名称: (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate, 14-3-3 protein sigma, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-04-11 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7NY4	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-130 分子名称: 14-3-3 protein sigma, 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-03-20 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
8GMN	Crystal structure of human C1s in complex with inhibitor 分子名称: Complement C1s subcomponent, SULFATE ION, [4-(1-aminophthalazin-6-yl)piperazin-1-yl](2-methylphenyl)methanone 著者 Dougan, D.R, Lane, W. 登録日 2023-03-26 公開日 2023-05-17 最終更新日 2023-05-24 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery of a Novel Series of Potent, Selective, Orally Available, and Brain-Penetrable C1s Inhibitors for Modulation of the Complement Pathway. J.Med.Chem., 66, 2023
7NZG	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-122 分子名称: 14-3-3 protein sigma, 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-03-24 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7O3P	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-116 分子名称: 14-3-3 protein sigma, 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-04-02 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
8CY5	CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 39 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-{3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propyl}adenosine, ... 著者 Zhou, J, Horton, J.R, Cheng, X. 登録日 2022-05-22 公開日 2023-01-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
7O57	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-157 分子名称: 14-3-3 protein sigma, 3-morpholin-4-yl-4-nitro-benzaldehyde, Transcription factor p65 著者 Wolter, M, Ottmann, C. 登録日 2021-04-08 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
8CXX	CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 6 分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... 著者 Horton, J.R, Zhou, J, Cheng, X. 登録日 2022-05-22 公開日 2023-01-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
7O5D	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-160 分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-04-08 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
8CY3	CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 15 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-[3-(4-aminophenyl)propyl]adenosine, ... 著者 Zhou, J, Horton, J.R, Cheng, X. 登録日 2022-05-22 公開日 2023-01-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
7O5U	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-168 分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-04-09 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7NYE	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-134 分子名称: 14-3-3 protein sigma, 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde, GLYCEROL, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-03-22 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7O6K	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-080 分子名称: (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate, 14-3-3 protein sigma, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-04-11 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7NYG	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-127 分子名称: 14-3-3 protein sigma, 4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-03-22 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7O3A	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-046 分子名称: 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol, 14-3-3 protein sigma, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-04-01 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
8CXS	CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MTA 分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DNA Strand 1, ... 著者 Horton, J.R, Zhou, J, Cheng, X. 登録日 2022-05-22 公開日 2023-01-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
7O5G	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-164 分子名称: 14-3-3 protein sigma, 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-04-08 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
8CXV	CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 3 分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... 著者 Horton, J.R, Zhou, J, Cheng, X. 登録日 2022-05-22 公開日 2023-01-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
7O6M	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-097 分子名称: (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate, 14-3-3 protein sigma, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-04-11 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
8CXT	CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-benzyladenosine (Compound 1) 分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... 著者 Horton, J.R, Zhou, J, Cheng, X. 登録日 2022-05-22 公開日 2023-01-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
7NXS	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-184 分子名称: 14-3-3 protein sigma, 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-03-19 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021

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