8BA4
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![BU of 8ba4 by Molmil](/molmil-images/mine/8ba4) | Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib | 分子名称: | 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, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-11 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8BA3
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![BU of 8ba3 by Molmil](/molmil-images/mine/8ba3) | Crystal structure of JAK2 JH2 in complex with Bemcentinib | 分子名称: | 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 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-11 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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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 | 分子名称: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-05 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8B8U
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![BU of 8b8u by Molmil](/molmil-images/mine/8b8u) | |
8B9H
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![BU of 8b9h by Molmil](/molmil-images/mine/8b9h) | Crystal structure of JAK2 JH2 in complex with Z902-A3 | 分子名称: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-06 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 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 | 分子名称: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-05 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8BAK
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![BU of 8bak by Molmil](/molmil-images/mine/8bak) | |
8BAB
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![BU of 8bab by Molmil](/molmil-images/mine/8bab) | Crystal structure of JAK2 JH2-V617F in complex with CB76 | 分子名称: | 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-11 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8B8N
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![BU of 8b8n by Molmil](/molmil-images/mine/8b8n) | |
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 | 分子名称: | 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ... | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-11 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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1NOG
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![BU of 1nog by Molmil](/molmil-images/mine/1nog) | Crystal Structure of Conserved Protein 0546 from Thermoplasma Acidophilum | 分子名称: | conserved hypothetical protein TA0546 | 著者 | Saridakis, V, Sanishvili, R, Iakounine, A, Xu, X, Pennycooke, M, Gu, J, Joachimiak, A, Arrowsmith, C.H, Edwards, A.M, Christendat, D, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2003-01-16 | 公開日 | 2003-07-29 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | The structural basis for methylmalonic aciduria. The crystal structure of archaeal ATP:cobalamin adenosyltransferase. J.Biol.Chem., 279, 2004
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5C0G
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![BU of 5c0g by Molmil](/molmil-images/mine/5c0g) | HLA-A02 carrying YLGGPDFPTI | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C0I
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![BU of 5c0i by Molmil](/molmil-images/mine/5c0i) | HAL-A02 carrying RQFGPDFPTI | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C0E
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![BU of 5c0e by Molmil](/molmil-images/mine/5c0e) | HLA-A02 carrying YLGGPDFPTI | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, Beta-2-microglobulin, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.491 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C08
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![BU of 5c08 by Molmil](/molmil-images/mine/5c08) | 1E6 TCR in Complex with HLA-A0e carrying RQWGPDPAAV | 分子名称: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.332 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C09
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![BU of 5c09 by Molmil](/molmil-images/mine/5c09) | HLA class I histocompatibility antigen | 分子名称: | 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, Beta-2-microglobulin, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.475 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C0B
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![BU of 5c0b by Molmil](/molmil-images/mine/5c0b) | 1E6 TCR in complex with HLA-A02 carrying RQFGPDFPTI | 分子名称: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C0F
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![BU of 5c0f by Molmil](/molmil-images/mine/5c0f) | HLA-A02 carrying RQWGPDPAAV | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.463 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C0A
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![BU of 5c0a by Molmil](/molmil-images/mine/5c0a) | 1E6 TCR in complex with HLA-A02 carrying MVW peptide | 分子名称: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C0J
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![BU of 5c0j by Molmil](/molmil-images/mine/5c0j) | HLA-A02 carrying RQFGPDWIVA | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C0D
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![BU of 5c0d by Molmil](/molmil-images/mine/5c0d) | HLA-A02 carrying AQWGPDPAAA | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C0C
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![BU of 5c0c by Molmil](/molmil-images/mine/5c0c) | 1E6 TCR in complex with HLA-A02 carrying RQFGPDWIVA | 分子名称: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.974 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C07
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![BU of 5c07 by Molmil](/molmil-images/mine/5c07) | 1E6 TCR in complex with HLA-A02 carrying YQFGPDFPIA | 分子名称: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2015-06-12 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5N1Y
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![BU of 5n1y by Molmil](/molmil-images/mine/5n1y) | HLA-A02 carrying MVWGPDPLYV | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | 登録日 | 2017-02-06 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J. Clin. Invest., 126, 2016
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8TUC
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![BU of 8tuc by Molmil](/molmil-images/mine/8tuc) | Unphosphorylated CaMKK2 in complex with CC-8977 | 分子名称: | (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid, 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 2, ... | 著者 | Bernard, S.M, Shanmugasundaram, V, D'Agostino, L. | 登録日 | 2023-08-16 | 公開日 | 2023-12-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2). J.Med.Chem., 66, 2023
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