6IB2
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![BU of 6ib2 by Molmil](/molmil-images/mine/6ib2) | The structure of MKK7 in complex with the covalent 4-amino-pyrazolopyrimidine 4a | 分子名称: | 1-[(3~{R})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | 著者 | Wolle, P, Hardick, J, Mueller, M.P, Rauh, D. | 登録日 | 2018-11-28 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Targeting the MKK7-JNK (Mitogen-Activated Protein Kinase Kinase 7-c-Jun N-Terminal Kinase) Pathway with Covalent Inhibitors. J.Med.Chem., 62, 2019
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6IB0
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![BU of 6ib0 by Molmil](/molmil-images/mine/6ib0) | The structure of MKK7 in complex with the covalent 4-amino-pyrazolopyrimidine 3a | 分子名称: | 1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one, Dual specificity mitogen-activated protein kinase kinase 7, TETRAETHYLENE GLYCOL | 著者 | Wolle, P, Hardick, J, Mueller, M.P, Rauh, D. | 登録日 | 2018-11-28 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Targeting the MKK7-JNK (Mitogen-Activated Protein Kinase Kinase 7-c-Jun N-Terminal Kinase) Pathway with Covalent Inhibitors. J.Med.Chem., 62, 2019
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6TFV
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![BU of 6tfv by Molmil](/molmil-images/mine/6tfv) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18b | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TG1
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![BU of 6tg1 by Molmil](/molmil-images/mine/6tg1) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21b | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SODIUM ION, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TFU
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![BU of 6tfu by Molmil](/molmil-images/mine/6tfu) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 14d | 分子名称: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TG0
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![BU of 6tg0 by Molmil](/molmil-images/mine/6tg0) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21a | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SULFATE ION, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TFW
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![BU of 6tfw by Molmil](/molmil-images/mine/6tfw) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18d | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TFY
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![BU of 6tfy by Molmil](/molmil-images/mine/6tfy) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18c | 分子名称: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TFZ
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![BU of 6tfz by Molmil](/molmil-images/mine/6tfz) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 19 | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SULFATE ION, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6S8A
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![BU of 6s8a by Molmil](/molmil-images/mine/6s8a) | Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19h | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-07-09 | 公開日 | 2019-10-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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6S89
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![BU of 6s89 by Molmil](/molmil-images/mine/6s89) | Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19g | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-07-09 | 公開日 | 2019-10-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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5O8V
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![BU of 5o8v by Molmil](/molmil-images/mine/5o8v) | |
5O8U
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![BU of 5o8u by Molmil](/molmil-images/mine/5o8u) | |
6HVF
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![BU of 6hvf by Molmil](/molmil-images/mine/6hvf) | Kinase domain of cSrc in complex with compound 29B | 分子名称: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide | 著者 | Keul, M, Mueller, M.P, Rauh, D. | 登録日 | 2018-10-10 | 公開日 | 2019-10-23 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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7OVK
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![BU of 7ovk by Molmil](/molmil-images/mine/7ovk) | Protein kinase MKK7 in complex with 5-bromo-2-hydroxyphenyl-substituted pyrazolopyrimidine | 分子名称: | 1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7, GLYCEROL | 著者 | Kleinboelting, S, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2021-06-15 | 公開日 | 2022-07-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries. J.Med.Chem., 65, 2022
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7OVM
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![BU of 7ovm by Molmil](/molmil-images/mine/7ovm) | Protein kinase MKK7 in complex with cyclobutyl-substituted indazole | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 7, ~{N}-[(1-cyclobutyl-1,2,3-triazol-4-yl)methyl]-3-(1~{H}-indazol-3-yl)-5-(propanoylamino)benzamide | 著者 | Buehrmann, M, Wiese, J.N, Mueller, M.P, Rauh, D. | 登録日 | 2021-06-15 | 公開日 | 2022-07-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries. J.Med.Chem., 65, 2022
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7OVN
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![BU of 7ovn by Molmil](/molmil-images/mine/7ovn) | Protein kinase MKK7 in complex with tolyl-substituted indazole | 分子名称: | 3-(1~{H}-indazol-3-yl)-~{N}-[[1-(2-methylphenyl)-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide, Dual specificity mitogen-activated protein kinase kinase 7 | 著者 | Buehrmann, M, Wiese, J.N, Mueller, M.P, Rauh, D. | 登録日 | 2021-06-15 | 公開日 | 2022-07-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries. J.Med.Chem., 65, 2022
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7OVJ
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![BU of 7ovj by Molmil](/molmil-images/mine/7ovj) | Protein kinase MKK7 in complex with difluoro-phenethyltriazole-substituted pyrazolopyrimidine | 分子名称: | 1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2021-06-15 | 公開日 | 2022-07-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries. J.Med.Chem., 65, 2022
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7OVL
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![BU of 7ovl by Molmil](/molmil-images/mine/7ovl) | Protein kinase MKK7 in complex with methoxycyclohexyl-substituted indazole | 分子名称: | 3-(2~{H}-indazol-3-yl)-~{N}-[[1-[(1~{R},2~{R})-2-methoxycyclohexyl]-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide, Dual specificity mitogen-activated protein kinase kinase 7 | 著者 | Buehrmann, M, Wiese, J.N, Mueller, M.P, Rauh, D. | 登録日 | 2021-06-15 | 公開日 | 2022-07-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries. J.Med.Chem., 65, 2022
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7OVI
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![BU of 7ovi by Molmil](/molmil-images/mine/7ovi) | Protein kinase MKK7 in complex with phenethyltriazole-substituted pyrazolopyrimidine | 分子名称: | 1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | 著者 | Kleinboelting, S, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2021-06-15 | 公開日 | 2022-07-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries. J.Med.Chem., 65, 2022
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6HVE
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![BU of 6hve by Molmil](/molmil-images/mine/6hve) | Kinase domain of cSrc in complex with compound 9 | 分子名称: | Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide | 著者 | Keul, M, Mueller, M.P, Rauh, D. | 登録日 | 2018-10-10 | 公開日 | 2019-10-23 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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6HHF
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![BU of 6hhf by Molmil](/molmil-images/mine/6hhf) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib | 分子名称: | Borussertib, RAC-alpha serine/threonine-protein kinase | 著者 | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | 登録日 | 2018-08-28 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer. Cancer Res., 79, 2019
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6HHI
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![BU of 6hhi by Molmil](/molmil-images/mine/6hhi) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 30b | 分子名称: | RAC-alpha serine/threonine-protein kinase, ~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide | 著者 | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | 登録日 | 2018-08-28 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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6HHH
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![BU of 6hhh by Molmil](/molmil-images/mine/6hhh) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 31 | 分子名称: | RAC-alpha serine/threonine-protein kinase, ~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide | 著者 | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | 登録日 | 2018-08-28 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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6HHG
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![BU of 6hhg by Molmil](/molmil-images/mine/6hhg) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 27 | 分子名称: | RAC-alpha serine/threonine-protein kinase, ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide | 著者 | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | 登録日 | 2018-08-28 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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