8HV8
 
 | | Crystal structure of EGFR_TMX in complex with covalently bound fragment 10 | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide | | Authors: | Dokurno, P. | | Deposit date: | 2022-12-26 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
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8HV9
 | | Crystal structure of EGFR_TMX in complex with covalently bound fragment 12 | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | | Authors: | Dokurno, P. | | Deposit date: | 2022-12-26 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
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8HV7
 | | Crystal structure of EGFR_TMX in complex with covalently bound fragment 9 | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | | Authors: | Dokurno, P. | | Deposit date: | 2022-12-26 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
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8ATB
 | | Discovery of IRAK4 Inhibitor 16 | | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-08-22 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8BOC
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 19 | | Descriptor: | Ephrin type-A receptor 2, ~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | Deposit date: | 2022-11-15 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 19
To Be Published
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8BPW
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8BPV
 | | Crystal structure of JAK2 JH1 in complex with pacritinib | | Descriptor: | 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, Tyrosine-protein kinase JAK2 | | Authors: | Miao, Y, Haikarainen, T. | | Deposit date: | 2022-11-18 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for JAK2 inhibition by clinical stage inhibitors
To Be Published
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8QQY
 | | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165 | | Descriptor: | 1,2-ETHANEDIOL, 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide, Ephrin type-A receptor 2 | | Authors: | Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-06 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165
To Be Published
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8BM2
 | | Crystal structure of JAK2 JH1 in complex with gandotinib | | Descriptor: | 3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine, Tyrosine-protein kinase JAK2 | | Authors: | Miao, Y, Haikarainen, T. | | Deposit date: | 2022-11-10 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis for JAK2 inhibition by clinical stage inhibitors
To Be Published
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8WSW
 | | The Crystal Structure of LIMK2a from Biortus | | Descriptor: | 1,2-ETHANEDIOL, LIM domain kinase 2, ~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide | | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | | Deposit date: | 2023-10-17 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Crystal Structure of LIMK2a from Biortus.
To Be Published
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8WTF
 | | The Crystal Structure of IRAK4 from Biortus | | Descriptor: | 1,2-ETHANEDIOL, 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4, ... | | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | | Deposit date: | 2023-10-18 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structure of IRAK4 from Biortus
To Be Published
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8SLZ
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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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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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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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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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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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8HAQ
 | | The complex of Src with GW8510 | | Descriptor: | 4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide, Isoform 2 of Proto-oncogene tyrosine-protein kinase Src | | Authors: | Zhu, S.J, Bi, S.Z. | | Deposit date: | 2022-10-26 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | The complex of Src with GW8510
To Be Published
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8H75
 | | FGFR2 in complex with YJ001 | | Descriptor: | CHLORIDE ION, Fibroblast growth factor receptor 2, Tinengotinib | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2022-10-19 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | FGFR2 in complex with YJ001
To Be Published
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8H7X
 | | Crystal structure of EGFR T790M/C797S mutant in complex with brigatinib | | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | | Authors: | Kukimoto-Niino, M, Shirouzu, M. | | Deposit date: | 2022-10-21 | | Release date: | 2023-10-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.404 Å) | | Cite: | A macrocyclic kinase inhibitor overcomes triple resistant mutations in EGFR-positive lung cancer.
NPJ Precis Oncol, 8, 2024
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8HOA
 | | ScRIPK mutant K124R | | Descriptor: | (2R,5R)-hexane-2,5-diol, ADENOSINE-5'-TRIPHOSPHATE, FORMIC ACID, ... | | Authors: | Fang, J.L, Zhang, M.Q, Ming, Z.H. | | Deposit date: | 2022-12-09 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.676 Å) | | Cite: | Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
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8HOD
 | | ScRIPK MUTANT-S253A, T254A | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Hypothetical protein | | Authors: | Fang, J.L, Zhang, M.Q. | | Deposit date: | 2022-12-09 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
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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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8TB5
 | | TYK2 JH2 bound to Compound7 | | Descriptor: | ACETATE ION, N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Argiriadi, M.A, Van Epps, S.A, Breinlinger, E.C. | | Deposit date: | 2023-06-28 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Targeting the Tyrosine Kinase 2 (TYK2) Pseudokinase Domain: Discovery of the Selective TYK2 Inhibitor ABBV-712.
J.Med.Chem., 66, 2023
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8TB6
 | | TYK2 JH2 bound to Compound14 | | Descriptor: | N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Argiriadi, M.A, Van Epps, S.A, Breinlinger, E.C. | | Deposit date: | 2023-06-28 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Targeting the Tyrosine Kinase 2 (TYK2) Pseudokinase Domain: Discovery of the Selective TYK2 Inhibitor ABBV-712.
J.Med.Chem., 66, 2023
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