7Z5W
| ROS1 with AstraZeneca ligand 1 | Descriptor: | Proto-oncogene tyrosine-protein kinase ROS, SULFATE ION, ~{N}-[6-methyl-2-[(2~{S})-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine | Authors: | Hargreaves, D. | Deposit date: | 2022-03-10 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.254 Å) | Cite: | Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors. J.Chem.Inf.Model., 62, 2022
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7YDX
| Crystal structure of human RIPK1 kinase domain in complex with compound RI-962 | Descriptor: | 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S. | Deposit date: | 2022-07-04 | Release date: | 2023-04-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.642 Å) | Cite: | Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor. Nat Commun, 13, 2022
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7YC9
| Co-crystal structure of BTK kinase domain with inhibitor | Descriptor: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | Authors: | Zhou, X. | Deposit date: | 2022-07-01 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases. J.Med.Chem., 66, 2023
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7YC3
| Crystal structure of FGFR4 kinase domain with 10t | Descriptor: | 6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide, Fibroblast growth factor receptor 4, GLYCEROL, ... | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | Deposit date: | 2022-06-30 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.987 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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7YC1
| Crystal structure of FGFR4 kinase domain with 10d | Descriptor: | Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ... | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | Deposit date: | 2022-06-30 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.535 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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7YBX
| Crystal structure of FGFR4(V550M) kinase domain with 10z | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | Deposit date: | 2022-06-30 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.233 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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7YBP
| Crystal structure of FGFR4(V550L) kinase domain with 10z | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | Deposit date: | 2022-06-29 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.243 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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7YBO
| Crystal structure of FGFR4 kinase domain with 10z | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | Deposit date: | 2022-06-29 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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7YAZ
| Crystal structure of ZAK in complex with compound YH-186 | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2022-06-28 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov). J.Med.Chem., 66, 2023
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7YAW
| Crystal structure of ZAK in complex with compound YH-180 | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2022-06-28 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov). J.Med.Chem., 66, 2023
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7Y4U
| Crystal structure of cMET kinase domain bound by compound 9Y | Descriptor: | Hepatocyte growth factor receptor, ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide | Authors: | Qu, L.Z, Chen, Y.H. | Deposit date: | 2022-06-16 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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7Y4T
| Crystal structure of cMET kinase domain bound by compound 9I | Descriptor: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor | Authors: | Qu, L.Z, Chen, Y.H. | Deposit date: | 2022-06-16 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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7XMK
| Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923 | Descriptor: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Zhang, L, Wang, Y, Li, Y, Yang, S. | Deposit date: | 2022-04-26 | Release date: | 2023-04-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.376 Å) | Cite: | From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases. J.Med.Chem., 67, 2024
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7XHY
| Crystal structure of MerTK Kinase domain with BMS794833 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Tyrosine-protein kinase Mer, ... | Authors: | Kim, J.H, Lee, B.I. | Deposit date: | 2022-04-11 | Release date: | 2022-11-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | BMS794833 inhibits macrophage efferocytosis by directly binding to MERTK and inhibiting its activity. Exp.Mol.Med., 54, 2022
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7XDY
| Crystal structure of a receptor like kinase from Arabidopsis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Receptor-like protein kinase FERONIA | Authors: | Kong, Y.Q, Ming, Z.H. | Deposit date: | 2022-03-29 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural and biochemical basis of Arabidopsis FERONIA receptor kinase-mediated early signaling initiation. Plant Commun., 4, 2023
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7XDX
| Crystal structure of a receptor like kinase from Arabidopsis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Receptor-like protein kinase FERONIA | Authors: | Kong, Y.Q, Ming, Z.H. | Deposit date: | 2022-03-29 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural and biochemical basis of Arabidopsis FERONIA receptor kinase-mediated early signaling initiation. Plant Commun., 4, 2023
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7XDW
| Crystal structure of a receptor like kinase from Arabidopsis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Receptor-like protein kinase FERONIA | Authors: | Kong, Y.Q, Ming, Z.H. | Deposit date: | 2022-03-29 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.926 Å) | Cite: | Structural and biochemical basis of Arabidopsis FERONIA receptor kinase-mediated early signaling initiation. Plant Commun., 4, 2023
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7XDV
| Crystal structure of a receptor like kinase from Arabidopsis | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Receptor-like protein kinase FERONIA | Authors: | Kong, Y.Q, Ming, Z.H. | Deposit date: | 2022-03-29 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and biochemical basis of Arabidopsis FERONIA receptor kinase-mediated early signaling initiation. Plant Commun., 4, 2023
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7XBI
| The crystal structure of human TrkA kinase bound to the inhibitor | Descriptor: | 4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide, CHLORIDE ION, High affinity nerve growth factor receptor | Authors: | Wu, C.Y, Wang, G, Ouyang, L. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The crystal structure of human TrkA kinase bound to the inhibitor To be published
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7XAF
| The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide | Descriptor: | 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2022-03-17 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.001182 Å) | Cite: | Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance. J.Med.Chem., 65, 2022
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7WF5
| c-Src in complex with ponatinib | Descriptor: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Guo, M, Duan, Y, Dai, S, Chen, X, Chen, Y. | Deposit date: | 2021-12-26 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Structural study of ponatinib in inhibiting SRC kinase. Biochem.Biophys.Res.Commun., 598, 2022
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7WCX
| Crystal structure of FGFR4(V550M) kinase domain with 7v | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | Authors: | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | Deposit date: | 2021-12-20 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.175 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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7WCW
| Crystal structure of FGFR4(V550L) kinase domain with 7v | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | Authors: | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | Deposit date: | 2021-12-20 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.317 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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7WCT
| Crystal structure of FGFR4 kinase domain with 7v | Descriptor: | Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ... | Authors: | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | Deposit date: | 2021-12-20 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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7WCL
| Crystal structure of FGFR1 kinase domain with Pemigatinib | Descriptor: | 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one, Fibroblast growth factor receptor 1, SULFATE ION | Authors: | Chen, X.J, Lin, Q.M, Jiang, L.Y, Qu, L.Z, Chen, Y.H. | Deposit date: | 2021-12-20 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.495 Å) | Cite: | Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants. Commun Chem, 5, 2022
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