8FE9
 
 | | Crystal structure of Ack1 kinase K161Q mutant in complex with the selective inhibitor (R)-9b | | Descriptor: | Activated CDC42 kinase 1, N-[(1S)-1-benzyl-2-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carbo | | Authors: | Paung, Y, Kan, Y, Seeliger, M.S, Miller, W.T. | | Deposit date: | 2022-12-06 | | Release date: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Biochemical Studies of Systemic Lupus Erythematosus-Associated Mutations in Nonreceptor Tyrosine Kinases Ack1 and Brk.
Biochemistry, 62, 2023
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8F7P
 | | BRAF kinase in complex with LXH254 (naporafenib) | | Descriptor: | N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Tkacik, E, Li, K, Gonzalez Del-Pino, G, Eck, M.J. | | Deposit date: | 2022-11-20 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structure and RAF family kinase isoform selectivity of type II RAF inhibitors tovorafenib and naporafenib.
J.Biol.Chem., 299, 2023
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8F7O
 | | BRAF kinase in complex with TAK580 (tovorafenib) | | Descriptor: | 6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Tkacik, E, Li, K, Gonzalez Del-Pino, G, Eck, M.J. | | Deposit date: | 2022-11-20 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.54 Å) | | Cite: | Structure and RAF family kinase isoform selectivity of type II RAF inhibitors tovorafenib and naporafenib.
J.Biol.Chem., 299, 2023
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8FD9
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8EME
 | | EGFR(T790M/V948R) in complex with ZNL-0056 | | Descriptor: | Epidermal growth factor receptor, N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2022-09-27 | | Release date: | 2023-10-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Molecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality
Acs Cent.Sci., 2024
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8F1X
 | | EGFR kinase in complex with mobocertinib (TAK-788) | | Descriptor: | Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2022-11-06 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | EGFR kinase in complex with mobocertinib (TAK-788)
To be published
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8F1W
 | | EGFR(T790M/V948R) kinase in complex with poziotinib | | Descriptor: | 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, Epidermal growth factor receptor | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2022-11-06 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | EGFR(T790M/V948R) kinase in complex with poziotinib
To be published
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8F1Y
 | | EGFR kinase in complex with poziotinib | | Descriptor: | 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, CITRIC ACID, Epidermal growth factor receptor | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2022-11-06 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | EGFR kinase in complex with poziotinib
To be published
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8F1Z
 | | EGFR kinase in complex with Bayer #33 | | Descriptor: | (2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, CITRIC ACID, Epidermal growth factor receptor | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2022-11-06 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | EGFR kinase in complex with Bayer #33
To be published
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8F1H
 | | EGFR kinase in complex with TAS6417 (CLN-081) | | Descriptor: | CITRIC ACID, Epidermal growth factor receptor, N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2022-11-05 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | EGFR kinase in complex with TAS6417 (CLN-081)
To be published
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5QIN
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6OVA
 | | Crystal Structure of TYK2 with novel pyrrolidinone inhibitor | | Descriptor: | 6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Skene, R.J, Hoffman, I.D. | | Deposit date: | 2019-05-07 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Efficient synthesis of tert-butyl 3-cyano-3-cyclopropyl-2-oxopyrrolidine-4-carboxylates: Highly functionalized 2-pyrrolidinone enabling access to novel macrocyclic Tyk2 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6OBF
 | | JAK2 JH2 in complex with JAK179 | | Descriptor: | GLYCEROL, Tyrosine-protein kinase JAK2, [4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid | | Authors: | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | | Deposit date: | 2019-03-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.
J.Med.Chem., 63, 2020
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6OMU
 | | Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib | | Descriptor: | 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, Tyrosine-protein kinase BTK | | Authors: | Mochalkin, I, Gardberg, A.S. | | Deposit date: | 2019-04-19 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases.
J.Med.Chem., 62, 2019
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6O5Z
 | | Crystal Structure of the human MLKL pseudokinase domain bound to compound 2 | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea, Mixed lineage kinase domain-like protein | | Authors: | Cowan, A.D, Murphy, J.M, Pierotti, C.L, Lessene, G.L, Czabotar, P.E. | | Deposit date: | 2019-03-04 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.285 Å) | | Cite: | Potent Inhibition of Necroptosis by Simultaneously Targeting Multiple Effectors of the Pathway.
Acs Chem.Biol., 15, 2020
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6O95
 | | Structure of the IRAK4 kinase domain with compound 41 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | | Deposit date: | 2019-03-13 | | Release date: | 2019-05-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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6OCC
 | | JAK2 JH2 in complex with JAK190 | | Descriptor: | 2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | | Deposit date: | 2019-03-22 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.
J.Med.Chem., 63, 2020
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6O94
 | | Structure of the IRAK4 kinase domain with compound 17 | | Descriptor: | CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | | Deposit date: | 2019-03-13 | | Release date: | 2019-05-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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6OBL
 | | JAK2 JH2 in complex with JAK168 | | Descriptor: | Tyrosine-protein kinase JAK2, [4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid | | Authors: | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | | Deposit date: | 2019-03-21 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.061 Å) | | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.
J.Med.Chem., 63, 2020
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6O8I
 | | BTK In Complex With Inhibitor | | Descriptor: | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK | | Authors: | Pokross, M, Tebben, A.J, Watterson, S.H. | | Deposit date: | 2019-03-11 | | Release date: | 2019-04-03 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK).
J. Med. Chem., 62, 2019
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6P69
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6PMA
 | | TRK-A IN COMPLEX WITH LIGAND | | Descriptor: | High affinity nerve growth factor receptor, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide | | Authors: | Subramanian, G, Brown, D.G. | | Deposit date: | 2019-07-01 | | Release date: | 2020-02-26 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
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6P7G
 | | The co-crystal structure of BRAF(V600E) with PHI1 | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Agianian, B, Gavathiotis, E. | | Deposit date: | 2019-06-05 | | Release date: | 2020-09-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Inhibitors of BRAF dimers using an allosteric site.
Nat Commun, 11, 2020
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6PL1
 | | TRK-A IN COMPLEX WITH LIGAND 1B | | Descriptor: | High affinity nerve growth factor receptor, N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea | | Authors: | Subramanian, G. | | Deposit date: | 2019-06-30 | | Release date: | 2019-10-09 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Lead identification and characterization of hTrkA type 2 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
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6PMB
 | | TRK-A IN COMPLEX WITH LIGAND 1a | | Descriptor: | 2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide, High affinity nerve growth factor receptor | | Authors: | Subramanian, G, Brown, D.G. | | Deposit date: | 2019-07-01 | | Release date: | 2020-02-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
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