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4OBP
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BU of 4obp by Molmil
MAP4K4 in complex with inhibitor (compound 29), 6-(2-FLUOROPYRIDIN-4-YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P.
登録日2014-01-07
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
4OBQ
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BU of 4obq by Molmil
MAP4K4 in complex with inhibitor (compound 31), N-[3-(4-AMINOQUINAZOLIN-6-YL)-5-FLUOROPHENYL]-2-(PYRROLIDIN-1-YL)ACETAMIDE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-01-07
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
4OBO
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BU of 4obo by Molmil
MAP4K4 in complex with inhibitor (compound 22), 6-(3-CHLOROPHENYL)QUINAZOLIN-4-AMINE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(3-chlorophenyl)quinazolin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-01-07
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
6N7B
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BU of 6n7b by Molmil
Structure of the human JAK1 kinase domain with compound 38
分子名称: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N79
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BU of 6n79 by Molmil
Structure of the human JAK1 kinase domain with compound 20
分子名称: GLYCEROL, N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N78
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BU of 6n78 by Molmil
Structure of the human JAK1 kinase domain with compound 21
分子名称: GLYCEROL, N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7A
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BU of 6n7a by Molmil
Structure of the human JAK1 kinase domain with compound 39
分子名称: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7C
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BU of 6n7c by Molmil
Structure of the human JAK1 kinase domain with compound 56
分子名称: GLYCEROL, N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N77
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BU of 6n77 by Molmil
Structure of the human JAK1 kinase domain with compound 15
分子名称: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7D
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BU of 6n7d by Molmil
Structure of the human JAK1 kinase domain with compound 54
分子名称: GLYCEROL, N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
4U44
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BU of 4u44 by Molmil
MAP4K4 in complex with inhibitor (compound 16)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2014-09-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4U3Z
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BU of 4u3z by Molmil
APO MAP4K4 T181E Phosphomimetic Mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase kinase kinase kinase 4, SODIUM ION
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U43
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BU of 4u43 by Molmil
MAP4K4 in complex with inhibitor (compound 6)
分子名称: Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2014-09-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4U40
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BU of 4u40 by Molmil
Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) Bound to AMPPNP
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U42
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BU of 4u42 by Molmil
MAP4K4 T181E Mutant Bound to inhibitor compound 1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U3Y
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BU of 4u3y by Molmil
Apo Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4)
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase kinase 4
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U41
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BU of 4u41 by Molmil
MAP4K4 Bound to inhibitor compound 1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U45
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BU of 4u45 by Molmil
MAP4K4 in complex with inhibitor (compound 25)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2014-09-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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