6UIP
 
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7DL6
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 18 | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | | 著者 | Wei, T, Xiao, J. | | 登録日 | 2020-11-26 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.648 Å) | | 主引用文献 | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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6B8Y
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5YVA
 | | Structure of CaMKK2 in complex with CKI-010 | | 分子名称: | 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | 著者 | Niwa, H, Handa, N, Yokoyama, S. | | 登録日 | 2017-11-24 | | 公開日 | 2018-12-05 | | 最終更新日 | 2020-06-10 | | 実験手法 | X-RAY DIFFRACTION (2.574 Å) | | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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5Z1E
 | | MAP2K7 C218S mutant-inhibitor | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 7, N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide | | 著者 | Kinoshita, T, London, N. | | 登録日 | 2017-12-26 | | 公開日 | 2019-01-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Covalent Docking Identifies a Potent and Selective MKK7 Inhibitor.
Cell Chem Biol, 26, 2019
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6T8X
 | | Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide | | 分子名称: | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one, 5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide, CHLORIDE ION, ... | | 著者 | Beaumont, E.J, Barker, J. | | 登録日 | 2019-10-25 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide
To Be Published
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7BJD
 | | Crystal structure of CHK1-10pt-mutant complex with compound 3 | | 分子名称: | 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-14 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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6BAB
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7BJH
 | | Crystal structure of CHK1-10pt-mutant complex with compound 8 | | 分子名称: | CHLORIDE ION, N,N-dimethyl-7H-purin-6-amine, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-14 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BJM
 | | Crystal structure of CHK1-10pt-mutant complex with compound 10 | | 分子名称: | 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-14 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BJR
 | | Crystal structure of CHK1-10pt-mutant complex with compound 18 | | 分子名称: | 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-14 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BJX
 | | Crystal structure of CHK1-10pt-mutant complex with compound 26 | | 分子名称: | 4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-14 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BJJ
 | | Crystal structure of CHK1-10pt-mutant complex with compound 9 | | 分子名称: | 1H-pyrazolo[3,4-d]pyrimidin-4-amine, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-14 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BK3
 | | Crystal structure of CHK1-10pt-mutant complex with compound 45 | | 分子名称: | 4-amino-7-methyl-2-({5-methyl-1-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-15 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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6UNQ
 | | Kinase domain of ALK2-K493A with AMPPNP | | 分子名称: | Activin receptor type-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Agnew, C, Jura, N. | | 登録日 | 2019-10-13 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
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7BJO
 | | Crystal structure of CHK1-10pt-mutant complex with compound 13 | | 分子名称: | 4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-14 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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6UNR
 | | Kinase domain of ALK2-K492A/K493A with AMPPNP | | 分子名称: | Activin receptor type-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Agnew, C, Jura, N. | | 登録日 | 2019-10-13 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
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6UNP
 | | Crystal structure of the kinase domain of BMPR2-D485G | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ... | | 著者 | Agnew, C, Jura, N. | | 登録日 | 2019-10-13 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
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7BKO
 | | Crystal structure of CHK1 complex with compound 9 | | 分子名称: | 1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase Chk1 | | 著者 | Baker, L.M, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-16 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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6UNS
 | | Kinase domain of ALK2-K492A/K493A with LDN-193189 | | 分子名称: | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1 | | 著者 | Agnew, C, Jura, N. | | 登録日 | 2019-10-13 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
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7BJE
 | | Crystal structure of CHK1-10pt-mutant complex with adenine | | 分子名称: | ADENINE, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-14 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BK1
 | | Crystal structure of CHK1-10pt-mutant complex with compound 32 | | 分子名称: | 4-amino-2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-15 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BKN
 | | Crystal structure of CHK1 complex with adenine | | 分子名称: | ADENINE, SULFATE ION, Serine/threonine-protein kinase Chk1 | | 著者 | Baker, L.M, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-16 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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5YVC
 | | Structure of CaMKK2 in complex with CKI-012 | | 分子名称: | 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | 著者 | Niwa, H, Handa, N, Yokoyama, S. | | 登録日 | 2017-11-24 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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7CTV
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