8PST
 
 | | ERK2 covelently bound to RU60 cyclohexenone based inhibitor | | 分子名称: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | | 著者 | Sok, P, Poti, A, Remenyi, A, Gogl, G. | | 登録日 | 2023-07-13 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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8PT9
 | | JNK1 covalently bound to BD838 cyclohexenone based inhibitor | | 分子名称: | Mitogen-activated protein kinase 8, methyl (1S,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate | | 著者 | Sok, P, Poti, A, Remenyi, A. | | 登録日 | 2023-07-13 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Tunable c-Jun N-terminal kinase (JNK) inhibitors that target a specific cysteine by a reversible covalent bond
To Be Published
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8PT8
 | | JNK1 covalently bound to RU135 cyclohexenone based inhibitor | | 分子名称: | GLYCEROL, Mitogen-activated protein kinase 8, methyl (1R,3R)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate | | 著者 | Sok, P, Poti, A, Remenyi, A. | | 登録日 | 2023-07-13 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Tunable c-Jun N-terminal kinase (JNK) inhibitors that target a specific cysteine by a reversible covalent bond
To Be Published
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8PSR
 | | ERK2 covalently bound to SynthRevD-12-opt artificial peptide | | 分子名称: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Sok, P, Poti, A, Gogl, G, Remenyi, A. | | 登録日 | 2023-07-13 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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8PT0
 | | ERK2 covelently bound to RU75 cyclohexenone based inhibitor | | 分子名称: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Sok, P, Poti, A, Remenyi, A, Gogl, G. | | 登録日 | 2023-07-13 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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8SAM
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8SAP
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8SAO
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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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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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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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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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8QWY
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-((5-isopropoxy-2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acid | | 分子名称: | 4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | | 著者 | Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-10-20 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
To Be Published
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8R7G
 | | Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | | 分子名称: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | | 著者 | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | | 登録日 | 2023-11-24 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
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8R1T
 | | Pim1 in complex with 4-(4-aminophenethyl)benzoic acid and Pimtide | | 分子名称: | 4-(4-aminophenethyl)benzoic acid, GLYCEROL, Pimtide, ... | | 著者 | Hochban, P.M.M, Heine, A, Diederich, W.E. | | 登録日 | 2023-11-02 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors.
Arch Pharm, 357, 2024
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8R1P
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8R99
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8RU8
 | | A crystal form of a human CDK2-CDK7 chimera | | 分子名称: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2 | | 著者 | Mukherjee, M, Cleasby, A. | | 登録日 | 2024-01-30 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 2024
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8SSO
 | | AurA bound to danusertib and inhibiting monobody Mb2 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Aurora kinase A, ... | | 著者 | Ludewig, H, Kim, C, Kern, D. | | 登録日 | 2023-05-08 | | 公開日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8SSP
 | | AurA bound to danusertib and activating monobody Mb1 | | 分子名称: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Ludewig, H, Kim, C, Kern, D. | | 登録日 | 2023-05-08 | | 公開日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8SIV
 | | Structure of Compound 2 bound to the CHK1 10-point mutant | | 分子名称: | N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide, Serine/threonine-protein kinase Chk1 | | 著者 | Palte, R.L. | | 登録日 | 2023-04-17 | | 公開日 | 2023-11-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.759 Å) | | 主引用文献 | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
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8R9S
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Mukherjee, M, Cleasby, A. | | 登録日 | 2023-11-30 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 2024
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8R9A
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | 分子名称: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER | | 著者 | Mukherjee, M, Cleasby, A. | | 登録日 | 2023-11-30 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 2024
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8R9O
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | 分子名称: | Cyclin-dependent kinase 7, ~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide | | 著者 | Mukherjee, M, Cleasby, A. | | 登録日 | 2023-11-30 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 2024
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8R9B
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