PDB: 161973 件ウェブページステータス検索Chemie searchBIRD

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2UZV	PKA structures of indazole-pyridine series of AKT inhibitors 分子名称: (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA,, CAMP-DEPENDENT PROTEIN KINASE, ... 著者 Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L. 登録日 2007-05-01 公開日 2007-06-05 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension. J.Med.Chem., 50, 2007
6QA7	Glycogen Phosphorylase b in complex with 29 分子名称: (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... 著者 Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. 登録日 2018-12-18 公開日 2019-06-26 最終更新日 2019-07-24 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography. J.Med.Chem., 62, 2019
6QA6	Glycogen Phosphorylase b in complex with 30 分子名称: (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... 著者 Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. 登録日 2018-12-18 公開日 2019-06-26 最終更新日 2019-07-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography. J.Med.Chem., 62, 2019
6QBG	Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 14 分子名称: (3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Brynda, J, Houstecka, R, Majer, P, Mares, M. 登録日 2018-12-21 公開日 2020-01-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. J.Med.Chem., 63, 2020
6QA8	Glycogen Phosphorylase b in complex with 28 分子名称: (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... 著者 Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. 登録日 2018-12-18 公開日 2019-06-26 最終更新日 2019-07-24 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography. J.Med.Chem., 62, 2019
6QBH	Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 33 分子名称: (4~{S},5~{S},9~{S})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Brynda, J, Houstecka, R, Majer, P, Mares, M. 登録日 2018-12-21 公開日 2020-01-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. J.Med.Chem., 63, 2020
6QCB	Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 9 分子名称: (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin D, ... 著者 Brynda, J, Houstecka, R, Majer, P, Mares, M. 登録日 2018-12-27 公開日 2020-01-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. J.Med.Chem., 63, 2020
6KG2	Human MTHFD2 in complex with Compound 18 分子名称: Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ... 著者 Suzuki, M, Matsui, Y, Ota, M, Kawai, J. 登録日 2019-07-10 公開日 2019-11-13 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J.Med.Chem., 62, 2019
7NYF	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-131 分子名称: 14-3-3 protein sigma, 4-[(3~{S})-3-oxidanylpiperidin-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
7NZ6	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-125 分子名称: 14-3-3 protein sigma, 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-03-23 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
7O3F	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-117 分子名称: 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane, 14-3-3 protein sigma, CHLORIDE 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 (1.4 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
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
7NZV	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-120 分子名称: 14-3-3 protein sigma, 4-methanoyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-03-24 公開日 2021-06-09 最終更新日 2024-10-09 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
7O3R	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-042 分子名称: 14-3-3 protein sigma, CALCIUM ION, 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 (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
7O5C	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-159 分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)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
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 2024-10-16 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
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 2024-10-16 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
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
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 2024-10-16 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
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
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 2024-10-16 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
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 2024-10-09 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

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