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PDB: 2472 件
5QIN
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BU of 5qin by Molmil
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN IN COMPLEX WITH N- {4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2- YL]PYRIDIN-2-YL}ACETAMIDE
分子名称: GLYCEROL, MAGNESIUM ION, N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, ...
著者Sheriff, S.
登録日2018-08-05
公開日2018-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
8YVV
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BU of 8yvv by Molmil
The Crystal Structure of BTK from Biortus
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
登録日2024-03-29
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Crystal Structure of BTK from Biortus.
To Be Published
8YKI
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BU of 8yki by Molmil
FGFR-1 in complex with ligand tasurgratinib
分子名称: CHLORIDE ION, Fibroblast growth factor receptor 1, Tasurgratinib
著者Ikemori-Kawada, M, Watanabe Miyano, S.
登録日2024-03-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Antitumor Activity of Tasurgratinib as an Orally Available FGFR1-3 Inhibitor in Cholangiocarcinoma Models With FGFR2-fusion.
Anticancer Res., 44, 2024
1QPD
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BU of 1qpd by Molmil
STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS
分子名称: LCK KINASE, STAUROSPORINE, SULFATE ION
著者Zhu, X, Kim, J.L, Rose, P.E, Stover, D.R, Toledo, L.M, Zhao, H, Morgenstern, K.A.
登録日1999-05-24
公開日2000-05-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of the lymphocyte-specific kinase Lck in complex with non-selective and Src family selective kinase inhibitors.
Structure Fold.Des., 7, 1999
1QPE
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BU of 1qpe by Molmil
STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS
分子名称: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, LCK KINASE, SULFATE ION
著者Zhu, X, Morgenstern, K.A.
登録日1999-05-24
公開日2000-05-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of the lymphocyte-specific kinase Lck in complex with non-selective and Src family selective kinase inhibitors.
Structure Fold.Des., 7, 1999
4V01
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BU of 4v01 by Molmil
FGFR1 in complex with ponatinib (co-crystallisation).
分子名称: 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ...
著者Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A.
登録日2014-09-10
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
4V05
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BU of 4v05 by Molmil
FGFR1 in complex with AZD4547.
分子名称: 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ...
著者Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A.
登録日2014-09-10
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
2WKM
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BU of 2wkm by Molmil
X-ray Structure of PHA-00665752 bound to the kinase domain of c-Met
分子名称: (3Z)-5-[(2,6-DICHLOROBENZYL)SULFONYL]-3-[(3,5-DIMETHYL-4-{[(2S)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Grodsky, N, Ryan, K, Cui, J.J.
登録日2009-06-15
公開日2010-08-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk).
J.Med.Chem, 54, 2011
4UXL
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BU of 4uxl by Molmil
Structure of Human ROS1 Kinase Domain in Complex with PF-06463922
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2014-08-25
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations.
Proc.Natl.Acad.Sci.USA, 112, 2015
4UWY
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BU of 4uwy by Molmil
FGFR1 Apo structure
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FIBROBLAST GROWTH FACTOR RECEPTOR 1
著者Thiyagarajan, N, Bunney, T, Katan, M.
登録日2014-08-15
公開日2015-02-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.305 Å)
主引用文献The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study
Ebiomedicine, 2, 2015
2WQB
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BU of 2wqb by Molmil
Structure of the Tie2 kinase domain in complex with a thiazolopyrimidine inhibitor
分子名称: 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE, ANGIOPOIETIN-1 RECEPTOR
著者Brassington, C, Breed, J, Buttar, D, Fitzek, M, Forder, C, Hassall, L, Hayter, B.R, Jones, C.D, Luke, R.W.A, McCall, E, McCoull, W, Norman, R, Paterson, D, McMiken, H, Rowsell, S, Tucker, J.A.
登録日2009-08-18
公開日2009-11-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Novel Thienopyrimidine and Thiazolopyrimidine Kinase Inhibitors with Activity Against Tie-2 in Vitro and in Vivo.
Bioorg.Med.Chem.Lett., 19, 2009
8G6Z
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BU of 8g6z by Molmil
JAK2 crystal structure in complex with Compound 13
分子名称: (3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2
著者Miller, S.T, Ellis, D.A.
登録日2023-02-16
公開日2023-06-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility.
J.Med.Chem., 66, 2023
8G8O
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The crystal structure of JAK2 in complex with Compound 31
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Tyrosine-protein kinase JAK2, ...
著者Miller, S.T, Ellis, D.A.
登録日2023-02-18
公開日2023-06-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility.
J.Med.Chem., 66, 2023
8G8X
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BU of 8g8x by Molmil
X-ray co-crystal structure of compound 27 in with complex JAK2
分子名称: 3-cyclopropyl-1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}azetidin-3-ol, Tyrosine-protein kinase JAK2
著者Miller, S.T, Ellis, D.A.
登録日2023-02-20
公開日2023-06-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility.
J.Med.Chem., 66, 2023
2X9F
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BU of 2x9f by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N^4^-1H-INDAZOL-4-YL-N^2^-[3-(METHYLSULFONYL)PHENYL]PYRIMIDINE-2,4-DIAMINE
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D.
登録日2010-03-17
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 3: Identification of Non-Benzodioxole-Based Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
2X2L
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BU of 2x2l by Molmil
Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor
分子名称: (3Z)-5-AMINO-3-[(4-METHOXYPHENYL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
著者Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q.
登録日2010-01-13
公開日2010-02-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.
Bioorg. Med. Chem., 18, 2010
9GI9
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BU of 9gi9 by Molmil
Wildtype EGFR bound with (R)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
分子名称: 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2~{R})-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Epidermal growth factor receptor
著者Pagliarini, R.A, Henderson, J.A, Borrelli, D.R, Brooijmans, N, Hilbert, B.J, Huff, M.R, Ito, T, Kryukov, G.V, Ladd, B, Martin, B.R, Milgram, B.C, Motiwala, H, OHearn, E, Wang, W, Hata, A, Bellier, J, Kuzmic, P, Guzman-Perez, A, Jackson, E.L, Stuart, D.D.
登録日2024-08-18
公開日2025-05-14
最終更新日2025-06-11
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 2025
9GL9
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Wild-type EGFR bound with STX-721
分子名称: (2R,3S)-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[2-[(2R)-1-[(E)-4-(dimethylamino)but-2-enoyl]-2-methyl-pyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-c]pyridin-4-one, CHLORIDE ION, Epidermal growth factor receptor
著者Hilbert, B.J, Brooijmans, N, Milgram, B.C, Pagliarini, R.A.
登録日2024-08-27
公開日2025-05-14
最終更新日2025-06-11
実験手法X-RAY DIFFRACTION (2.147 Å)
主引用文献STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 2025
7REE
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BU of 7ree by Molmil
High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059
分子名称: Tyrosine-protein kinase JAK2, [3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile
著者Karim, M.R, Schonbrunn, E.
登録日2021-07-12
公開日2021-09-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059.
To Be Published
9GL7
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EGFR Exon20 insertion mutant NPG bound with (S)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
分子名称: 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2S)-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Epidermal growth factor receptor
著者Hilbert, B.J, Brooijmans, N, Milgram, B.C, Pagliarini, R.A.
登録日2024-08-27
公開日2025-05-14
最終更新日2025-06-11
実験手法X-RAY DIFFRACTION (1.878 Å)
主引用文献STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 2025
9GL8
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EGFR Exon20 insertion mutant NPG bound with STX-721
分子名称: (2R,3S)-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[2-[(2R)-1-[(E)-4-(dimethylamino)but-2-enoyl]-2-methyl-pyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-c]pyridin-4-one, 1,2-ETHANEDIOL, Epidermal growth factor receptor, ...
著者Hilbert, B.J, Brooijmans, N, Milgram, B.C, Pagliarini, R.A.
登録日2024-08-27
公開日2025-05-14
最終更新日2025-06-11
実験手法X-RAY DIFFRACTION (1.632 Å)
主引用文献STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 2025
7R60
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BTK in complex with 18A
分子名称: 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK
著者Gardberg, A.
登録日2021-06-22
公開日2021-10-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
7R61
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BTK in complex with 25A
分子名称: 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Gardberg, A.
登録日2021-06-22
公開日2021-10-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
5XP7
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C-Src in complex with ATP-CHCl
分子名称: GLYCEROL, MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, ...
著者Guo, M, Dai, S, Duan, Y, Chen, L, Chen, Y.
登録日2017-06-01
公開日2017-09-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.012 Å)
主引用文献Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
5XDL
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Crystal structure of EGFR 696-1022 L858R in complex with CO-1686
分子名称: 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
著者Yan, X.E, Zhu, S.J, Yun, C.H.
登録日2017-03-28
公開日2017-12-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of mutant-selectivity and drug-resistance related to CO-1686.
Oncotarget, 8, 2017

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