8P9H
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![BU of 8p9h by Molmil](/molmil-images/mine/8p9h) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB437 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9K
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![BU of 8p9k by Molmil](/molmil-images/mine/8p9k) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB503 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9I
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![BU of 8p9i by Molmil](/molmil-images/mine/8p9i) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB462 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9F
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![BU of 8p9f by Molmil](/molmil-images/mine/8p9f) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9L
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![BU of 8p9l by Molmil](/molmil-images/mine/8p9l) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9J
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![BU of 8p9j by Molmil](/molmil-images/mine/8p9j) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB500 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8QLR
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![BU of 8qlr by Molmil](/molmil-images/mine/8qlr) | Human MST3 (STK24) kinase in complex with inhibitor MR24 | 分子名称: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | 著者 | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-09-20 | 公開日 | 2023-11-08 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors. J.Med.Chem., 67, 2024
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8QLT
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![BU of 8qlt by Molmil](/molmil-images/mine/8qlt) | Human MST3 (STK24) kinase in complex with inhibitor MR30 | 分子名称: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | 著者 | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-09-20 | 公開日 | 2023-11-08 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors. J.Med.Chem., 67, 2024
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8QLS
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![BU of 8qls by Molmil](/molmil-images/mine/8qls) | Human MST3 (STK24) kinase in complex with inhibitor MR26 | 分子名称: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | 著者 | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-09-20 | 公開日 | 2023-11-08 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors. J.Med.Chem., 67, 2024
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8QLQ
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![BU of 8qlq by Molmil](/molmil-images/mine/8qlq) | Human MST3 (STK24) kinase in complex with macrocyclic inhibitor JA310 | 分子名称: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase 24, macrocyclic inhibitor | 著者 | Balourdas, D.I, Amrhein, J.A, Hanke, T, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-09-20 | 公開日 | 2023-11-08 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Synthesis of Pyrazole-Based Macrocycles Leads to a Highly Selective Inhibitor for MST3. J.Med.Chem., 67, 2024
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3ZY1
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![BU of 3zy1 by Molmil](/molmil-images/mine/3zy1) | |
2WZO
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![BU of 2wzo by Molmil](/molmil-images/mine/2wzo) | The structure of the FYR domain | 分子名称: | GLYCEROL, TRANSFORMING GROWTH FACTOR BETA REGULATOR 1 | 著者 | Garcia-Alai, M.M, Allen, M.D, Joerger, A.C, Bycroft, M. | 登録日 | 2009-12-01 | 公開日 | 2010-05-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Structure of the Fyr Domain of Transforming Growth Factor Beta Regulator 1 (Tbrg1)(Pna) Protein Sci., 19, 2010
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7A9B
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![BU of 7a9b by Molmil](/molmil-images/mine/7a9b) | Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide | 分子名称: | 1,2-ETHANEDIOL, SH3 and multiple ankyrin repeat domains protein 1,Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3 | 著者 | Mariam McAuley, M, Ali, M, Ivarsson, Y, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2020-09-01 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide to be published
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7B33
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![BU of 7b33 by Molmil](/molmil-images/mine/7b33) | MST3 in complex with MRIA11 | 分子名称: | 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | 著者 | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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7B30
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![BU of 7b30 by Molmil](/molmil-images/mine/7b30) | MST3 in complex with compound G-5555 | 分子名称: | 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase 24 | 著者 | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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7B35
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![BU of 7b35 by Molmil](/molmil-images/mine/7b35) | MST3 in complex with compound MRIA13 | 分子名称: | 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | 著者 | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.40005136 Å) | 主引用文献 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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7B32
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![BU of 7b32 by Molmil](/molmil-images/mine/7b32) | MST3 in complex with MRIA7 | 分子名称: | 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | 著者 | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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7B31
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![BU of 7b31 by Molmil](/molmil-images/mine/7b31) | MST3 in complex with compound MRIA9 | 分子名称: | 1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one, Serine/threonine-protein kinase 24 | 著者 | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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7B34
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![BU of 7b34 by Molmil](/molmil-images/mine/7b34) | MST3 in complex with compound MRIA12 | 分子名称: | 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | 著者 | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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7B36
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![BU of 7b36 by Molmil](/molmil-images/mine/7b36) | MST4 in complex with compound G-5555 | 分子名称: | 1,2-ETHANEDIOL, 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, ... | 著者 | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.10681081 Å) | 主引用文献 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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6ZN6
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![BU of 6zn6 by Molmil](/molmil-images/mine/6zn6) | Protein polybromo-1 (PB1 BD2) Bound To MW278 | 分子名称: | 1,2-ETHANEDIOL, 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol, Protein polybromo-1 | 著者 | Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S. | 登録日 | 2020-07-06 | 公開日 | 2020-08-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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7BE6
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![BU of 7be6 by Molmil](/molmil-images/mine/7be6) | Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159 | 分子名称: | 1,2-ETHANEDIOL, 5-amino-N-(4-(((2S)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1H-pyrazole-4-carboxamide, Epithelial discoidin domain-containing receptor 1, ... | 著者 | Pinkas, D.M, Bufton, J.C, Roehm, S, Joerger, A.C, Knapp, S, Bullock, A.N, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-22 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.87081933 Å) | 主引用文献 | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
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6ZS4
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![BU of 6zs4 by Molmil](/molmil-images/mine/6zs4) | Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | 分子名称: | 1,2-ETHANEDIOL, Protein polybromo-1, tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | 著者 | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-07-15 | 公開日 | 2020-10-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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6ZNV
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![BU of 6znv by Molmil](/molmil-images/mine/6znv) | Protein polybromo-1 (PB1 BD2) Bound To DP28 | 分子名称: | 1,2-ETHANEDIOL, 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol, ACETATE ION, ... | 著者 | Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S. | 登録日 | 2020-07-06 | 公開日 | 2020-08-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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6ZS2
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![BU of 6zs2 by Molmil](/molmil-images/mine/6zs2) | Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | 分子名称: | 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Transcription activator BRG1 | 著者 | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-07-15 | 公開日 | 2020-10-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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