8BXH
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![BU of 8bxh by Molmil](/molmil-images/mine/8bxh) | Crystal structure of JAK2 JH1 in complex with momelotinib | Descriptor: | MALONATE ION, Momelotinib, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T. | Deposit date: | 2022-12-08 | Release date: | 2023-12-20 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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7LL4
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![BU of 7ll4 by Molmil](/molmil-images/mine/7ll4) | |
3UGC
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![BU of 3ugc by Molmil](/molmil-images/mine/3ugc) | Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594 | Descriptor: | 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, MALONATE ION, Tyrosine-protein kinase JAK2 | Authors: | Scheufler, C, Tavares, G.A, Manley, P.W, Pissot-Soldermann, C, Kroemer, M. | Deposit date: | 2011-11-02 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Modulation of activation-loop phosphorylation by JAK inhibitors is binding mode dependent. Cancer Discov, 2, 2012
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7REE
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![BU of 7ree by Molmil](/molmil-images/mine/7ree) | |
8BA3
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![BU of 8ba3 by Molmil](/molmil-images/mine/8ba3) | Crystal structure of JAK2 JH2 in complex with Bemcentinib | Descriptor: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-10-11 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8BX9
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![BU of 8bx9 by Molmil](/molmil-images/mine/8bx9) | Crystal structure of JAK2 JH1 in complex with ilginatinib | Descriptor: | DIMETHYL SULFOXIDE, Ilginatinib, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T. | Deposit date: | 2022-12-08 | Release date: | 2023-12-20 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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7TEU
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![BU of 7teu by Molmil](/molmil-images/mine/7teu) | Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1 | Descriptor: | 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Hubbard, S.R. | Deposit date: | 2022-01-05 | Release date: | 2023-06-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | New scaffolds for type II JAK2 inhibitors overcome the acquired G993A resistance mutation. Cell Chem Biol, 30, 2023
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4IVA
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![BU of 4iva by Molmil](/molmil-images/mine/4iva) | JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE | Descriptor: | Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | Authors: | Eigenbrot, C, Shia, S. | Deposit date: | 2013-01-22 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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7LL5
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![BU of 7ll5 by Molmil](/molmil-images/mine/7ll5) | |
8B8U
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8B9H
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![BU of 8b9h by Molmil](/molmil-images/mine/8b9h) | Crystal structure of JAK2 JH2 in complex with Z902-A3 | Descriptor: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-10-06 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8B9E
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![BU of 8b9e by Molmil](/molmil-images/mine/8b9e) | Crystal structure of JAK2 JH2-V617F in complex with Z902-A3 | Descriptor: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-10-05 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8BA2
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![BU of 8ba2 by Molmil](/molmil-images/mine/8ba2) | Crystal structure of JAK2 JH2-V617F in complex with Z902-A1 | Descriptor: | 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ... | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-10-11 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8EX1
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![BU of 8ex1 by Molmil](/molmil-images/mine/8ex1) | |
7RN6
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8BM2
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![BU of 8bm2 by Molmil](/molmil-images/mine/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 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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8BX6
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![BU of 8bx6 by Molmil](/molmil-images/mine/8bx6) | Crystal structure of JAK2 JH1 in complex with cerdulatinib | Descriptor: | Cerdulatinib, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T. | Deposit date: | 2022-12-08 | Release date: | 2023-12-20 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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5UT3
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![BU of 5ut3 by Molmil](/molmil-images/mine/5ut3) | JAK2 JH2 in complex with IKK-2 Inhibitor VI | Descriptor: | 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE, ACETATE ION, GLYCEROL, ... | Authors: | Puleo, D.E, Schlessinger, J. | Deposit date: | 2017-02-14 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders. ACS Med Chem Lett, 8, 2017
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5I4N
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![BU of 5i4n by Molmil](/molmil-images/mine/5i4n) | |
6BS0
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![BU of 6bs0 by Molmil](/molmil-images/mine/6bs0) | JAK2 JH2 in complex with 63552444 | Descriptor: | 4-(5-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Puleo, D.E, Schlessinger, J. | Deposit date: | 2017-12-01 | Release date: | 2018-08-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.541 Å) | Cite: | JAK2 JH2 Binders To Be Published
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8BAB
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![BU of 8bab by Molmil](/molmil-images/mine/8bab) | Crystal structure of JAK2 JH2-V617F in complex with CB76 | Descriptor: | 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-10-11 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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5TQ8
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![BU of 5tq8 by Molmil](/molmil-images/mine/5tq8) | Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin | Descriptor: | Tyrosine-protein kinase JAK2, {2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-2H-indazol-3-yl]-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}[5-(piperidin-1-yl)pyrazin-2-yl]methanone | Authors: | Chrencik, J, Jones, P. | Deposit date: | 2016-10-23 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin. J. Med. Chem., 60, 2017
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6G3C
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![BU of 6g3c by Molmil](/molmil-images/mine/6g3c) | Crystal Structure of JAK2-V617F pseudokinase domain in complex with Compound 2 | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one, Tyrosine-protein kinase | Authors: | Dekker, C, Hinniger, A. | Deposit date: | 2018-03-24 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. Acs Chem.Biol., 14, 2019
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8B99
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![BU of 8b99 by Molmil](/molmil-images/mine/8b99) | Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621 | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-10-05 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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7Q7K
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![BU of 7q7k by Molmil](/molmil-images/mine/7q7k) | JAK2 in complex with 4-(2-amino-8-methoxyquinazolin-6-yl)phenol | Descriptor: | 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol, Tyrosine-protein kinase JAK2 | Authors: | Rowland, P. | Deposit date: | 2021-11-09 | Release date: | 2022-02-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism. J.Med.Chem., 65, 2022
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