8U1F
 
 | | FGFR2 Kinase Domain Bound to Irreversible Inhibitor Cmpd 10 | | Descriptor: | Fibroblast growth factor receptor 2, GLYCEROL, N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide, ... | | Authors: | Valverde, R, Foster, L. | | Deposit date: | 2023-08-31 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.33 Å) | | Cite: | Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8UDU
 | | The X-RAY co-crystal structure of human FGFR3 and Compound 17 | | Descriptor: | 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, CHLORIDE ION, Fibroblast growth factor receptor 3 | | Authors: | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | | Deposit date: | 2023-09-29 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.737 Å) | | Cite: | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
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8UDT
 | | The X-RAY co-crystal structure of human FGFR3 and KIN-3248 | | Descriptor: | 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, D-MALATE, Fibroblast growth factor receptor 3 | | Authors: | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | | Deposit date: | 2023-09-29 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.829 Å) | | Cite: | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
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8XOX
 | | The Crystal Structure of FAK2 from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide, Protein-tyrosine kinase 2-beta | | Authors: | Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. | | Deposit date: | 2024-01-02 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Crystal Structure of FAK2 from Biortus.
To Be Published
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8XPV
 | | The Crystal Structure of EphA2 from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, Ephrin type-A receptor 2, ... | | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | | Deposit date: | 2024-01-04 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Crystal Structure of EphA2 from Biortus.
To Be Published
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8XLQ
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8TU3
 | | Bruton's tyrosine kinase in complex with covalent inhibitor compound 10 | | Descriptor: | 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one, Tyrosine-protein kinase BTK | | Authors: | Metrick, C.M. | | Deposit date: | 2023-08-15 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
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8U8X
 | | crystal structure of the receptor tyrosine kinase Human HER2 (ERBB2) YVMA mutant kinase domain in complex with inhibitor compound 27 | | Descriptor: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, J, Mou, T.C. | | Deposit date: | 2023-09-18 | | Release date: | 2024-06-12 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of Potent and Selective Covalent Inhibitors of HER2 WT and HER2 YVMA .
J.Med.Chem., 67, 2024
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8TU5
 | | Bruton's tyrosine kinase in complex with covalent inhibitor compound 27 | | Descriptor: | 1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one, Tyrosine-protein kinase BTK | | Authors: | Metrick, C.M. | | Deposit date: | 2023-08-15 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
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8TVM
 | | IRAK4 in complex with compound 24 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide | | Authors: | Metrick, C.M, Chodaparambil, J.V. | | Deposit date: | 2023-08-18 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Tiny Pocket Packs a Punch: Leveraging Pyridones for the Discovery of CNS-Penetrant Aza-indazole IRAK4 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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8TU4
 | | Bruton's tyrosine kinase in complex with covalent inhibitor compound 25 | | Descriptor: | N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide, Tyrosine-protein kinase BTK | | Authors: | Metrick, C.M. | | Deposit date: | 2023-08-15 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
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8TX0
 | | IRAK4 in complex with compound | | Descriptor: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, SODIUM ION, ... | | Authors: | Metrick, C.M, Chodaparambil, J.V. | | Deposit date: | 2023-08-21 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of BIO-8169─A Highly Potent, Selective, and Brain-Penetrant IRAK4 Inhibitor for the Treatment of Neuroinflammation.
J.Med.Chem., 67, 2024
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8XLO
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8YGX
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8YGZ
 | | The Crystal Structure of TGF beta R2 kinase domain from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TGF-beta receptor type-2 | | Authors: | Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. | | Deposit date: | 2024-02-27 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Crystal Structure of TGF beta R2 kinase domain from Biortus.
To Be Published
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5XGM
 | | Crystal structure of EGFR 696-1022 T790M in complex with Go6976 | | Descriptor: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, Epidermal growth factor receptor | | Authors: | Kong, L.L, Yun, C.H. | | Deposit date: | 2017-04-14 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.952 Å) | | Cite: | Structural pharmacological studies on EGFR T790M/C797S.
Biochem. Biophys. Res. Commun., 488, 2017
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5XFJ
 | | Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550M) | | Descriptor: | 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4 | | Authors: | Wu, D, Chen, Y. | | Deposit date: | 2017-04-10 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
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5XP5
 | | C-Src in complex with ATP-Chf | | Descriptor: | MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid | | Authors: | Duan, Y, Guo, M, Dai, S, Chen, L, Chen, Y. | | Deposit date: | 2017-06-01 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
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5XD6
 | | CARK1 phosphorylates ABA receptors | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein kinase superfamily protein | | Authors: | Zhang, L, Lou, Z. | | Deposit date: | 2017-03-27 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | CARK1 phosphorylates ABA receptors
To Be Published
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5XDK
 | | Crystal structure of EGFR 696-1022 T790M in complex with CO-1686 | | Descriptor: | Epidermal growth factor receptor, N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2017-03-28 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.346 Å) | | Cite: | Structural basis of mutant-selectivity and drug-resistance related to CO-1686.
Oncotarget, 8, 2017
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5XFF
 | | Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550L) | | Descriptor: | 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4 | | Authors: | Wu, D, Chen, Y. | | Deposit date: | 2017-04-10 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
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5X5O
 | | Crystal structure of ZAK in complex with compound D2829 | | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide | | Authors: | Dai, Y.B, Zhao, P, Yun, C.H. | | Deposit date: | 2017-02-17 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.868 Å) | | Cite: | Structure Based Design of N-(3-((1H-Pyrazolo[3,4-b]pyridin-5-yl)ethynyl)benzenesulfonamides as Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J. Med. Chem., 60, 2017
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5XGN
 | | Crystal structure of EGFR 696-1022 T790M/C797S in complex with Go6976 | | Descriptor: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, CHLORIDE ION, Epidermal growth factor receptor | | Authors: | Kong, L.L, Yun, C.H. | | Deposit date: | 2017-04-14 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural pharmacological studies on EGFR T790M/C797S.
Biochem. Biophys. Res. Commun., 488, 2017
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5XYZ
 | | The structure of human BTK kinase domain in complex with a covalent inhibitor | | Descriptor: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK | | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N. | | Deposit date: | 2017-07-11 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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5Y5U
 | | Crystal structures of spleen tyrosine kinase in complex with a novel inhibitor | | Descriptor: | 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8H-pyrido[4,3-d]pyrimidin-5-one, Tyrosine-protein kinase SYK | | Authors: | Lee, S.J, Lee, B.I. | | Deposit date: | 2017-08-09 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal Structures of Spleen Tyrosine Kinase in Complex with Two Novel 4-Aminopyrido[4,3-d] Pyrimidine Derivative Inhibitors.
Mol. Cells, 41, 2018
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