5SX4
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![BU of 5sx4 by Molmil](/molmil-images/mine/5sx4) | Crystal Structure of panitumumab in complex with epidermal growth factor receptor domain 3. | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | 著者 | Sickmier, E.A, Kurzeja, R.J.M, Michelsen, K, Mukta, V, Yang, E, Tasker, A.S. | 登録日 | 2016-08-09 | 公開日 | 2016-10-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The Panitumumab EGFR Complex Reveals a Binding Mechanism That Overcomes Cetuximab Induced Resistance. Plos One, 11, 2016
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5ISH
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![BU of 5ish by Molmil](/molmil-images/mine/5ish) | Crystal structure of mouse CARM1 in complex with inhibitor SA0765 | 分子名称: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | 登録日 | 2016-03-15 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | 主引用文献 | Crystal structure of mouse CARM1 in complex with inhibitor SA0765 To Be Published
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5ISE
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![BU of 5ise by Molmil](/molmil-images/mine/5ise) | Crystal structure of mouse CARM1 in complex with inhibitor SA0649 | 分子名称: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | 登録日 | 2016-03-15 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of mouse CARM1 in complex with SAH at 1.8 Angstroms resolution To Be Published
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8Q3W
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![BU of 8q3w by Molmil](/molmil-images/mine/8q3w) | ATP-bound IstB in complex to duplex DNA | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA (48-MER) Target DNA FW, DNA (48-MER) Traget DNA Rv, ... | 著者 | de la Gandara, A, Spinola-Amilibia, M, Araujo-Bazan, L, Nunez-Ramirez, R, Berger, J.M, Arias-Palomo, E. | 登録日 | 2023-08-04 | 公開日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | 主引用文献 | Molecular basis for transposase activation by a dedicated AAA+ ATPase. Nature, 630, 2024
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6TYK
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![BU of 6tyk by Molmil](/molmil-images/mine/6tyk) | |
6S1B
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![BU of 6s1b by Molmil](/molmil-images/mine/6s1b) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Kinase Scaffold Repurposing in the Public Domain To be published
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6S1I
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![BU of 6s1i by Molmil](/molmil-images/mine/6s1i) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, TETRAETHYLENE GLYCOL, ... | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Mining Public Domain Data to Develop Selective DYRK1A Inhibitors. Acs Med.Chem.Lett., 11, 2020
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8Q4D
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![BU of 8q4d by Molmil](/molmil-images/mine/8q4d) | IstA-IstB(E167Q) Strand Transfer Complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (118-MER) / TIR-transferred strand, ... | 著者 | de la Gandara, A, Spinola-Amilibia, M, Araujo-Bazan, L, Nunez-Ramirez, R, Berger, J.M, Arias-Palomo, E. | 登録日 | 2023-08-06 | 公開日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.62 Å) | 主引用文献 | Molecular basis for transposase activation by a dedicated AAA+ ATPase. Nature, 630, 2024
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1TZG
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![BU of 1tzg by Molmil](/molmil-images/mine/1tzg) | Crystal structure of HIV-1 neutralizing human Fab 4E10 in complex with a 13-residue peptide containing the 4E10 epitope on gp41 | 分子名称: | Envelope polyprotein GP160, Fab 4E10, GLYCEROL | 著者 | Cardoso, R.M.F, Zwick, M.B, Stanfield, R.L, Kunert, R, Binley, J.M, Katinger, H, Burton, D.R, Wilson, I.A. | 登録日 | 2004-07-09 | 公開日 | 2005-03-01 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Broadly Neutralizing Anti-HIV Antibody 4E10 Recognizes a Helical Conformation of a Highly Conserved Fusion-Associated Motif in gp41 Immunity, 22, 2005
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8Q0V
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![BU of 8q0v by Molmil](/molmil-images/mine/8q0v) | Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-073) | 分子名称: | (3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | 登録日 | 2023-07-29 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q0W
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![BU of 8q0w by Molmil](/molmil-images/mine/8q0w) | Endothiapepsin in complex with ligand (3R,5R)-3-(2-((allyl(methyl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-086) | 分子名称: | (3~{R},5~{R})-3-[2-[[methyl(prop-2-enyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | 登録日 | 2023-07-29 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q12
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![BU of 8q12 by Molmil](/molmil-images/mine/8q12) | Endothiapepsin in complex with ligand (3R,5R)-5-(3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-146.2) | 分子名称: | (3~{R},5~{R})-5-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | 登録日 | 2023-07-29 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q10
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![BU of 8q10 by Molmil](/molmil-images/mine/8q10) | Endothiapepsin in complex with ligand (3R,5R)-3-(2-(hydroxymethyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-125) | 分子名称: | (3~{R},5~{R})-3-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | 登録日 | 2023-07-29 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q14
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![BU of 8q14 by Molmil](/molmil-images/mine/8q14) | Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(2-nitro-4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-171) | 分子名称: | (3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | 登録日 | 2023-07-29 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q13
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![BU of 8q13 by Molmil](/molmil-images/mine/8q13) | Endothiapepsin in complex with ligand (3R,5R)-5-(3-(2-amino-4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-168) | 分子名称: | (3~{R},5~{R})-5-[3-[2-azanyl-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | 登録日 | 2023-07-29 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8PXI
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![BU of 8pxi by Molmil](/molmil-images/mine/8pxi) | Crystal structure of Endothiapepsin soaked with FRG283 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol, DIMETHYL SULFOXIDE, ... | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | 登録日 | 2023-07-23 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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6E9X
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![BU of 6e9x by Molmil](/molmil-images/mine/6e9x) | DHF91 filament | 分子名称: | DHF91 filament | 著者 | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | 登録日 | 2018-08-01 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (7.8 Å) | 主引用文献 | De novo design of self-assembling helical protein filaments. Science, 362, 2018
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8Q11
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![BU of 8q11 by Molmil](/molmil-images/mine/8q11) | Endothiapepsin in complex with ligand (3R,5R)-5-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-126) | 分子名称: | (3~{R},5~{R})-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | 登録日 | 2023-07-29 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q0X
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![BU of 8q0x by Molmil](/molmil-images/mine/8q0x) | Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(propyl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-087) | 分子名称: | (3~{R},5~{R})-3-[2-[[methyl(propyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | 登録日 | 2023-07-29 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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1UB1
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![BU of 1ub1 by Molmil](/molmil-images/mine/1ub1) | Solution structure of the matrix attachment region-binding domain of chicken MeCP2 | 分子名称: | attachment region binding protein | 著者 | Heitmann, B, Maurer, T, Weitzel, J.M, Stratling, W.H, Kalbitzer, H.R, Brunner, E, Structural Proteomics in Europe (SPINE) | 登録日 | 2003-03-27 | 公開日 | 2003-08-05 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the matrix attachment region-binding domain of chicken MeCP2 EUR.J.BIOCHEM., 270, 2003
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8Q0Y
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![BU of 8q0y by Molmil](/molmil-images/mine/8q0y) | Endothiapepsin in complex with ligand (3R,5R)-5-(3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-085.1) | 分子名称: | (3~{R},5~{R})-5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | 登録日 | 2023-07-29 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q0Z
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![BU of 8q0z by Molmil](/molmil-images/mine/8q0z) | Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-089) | 分子名称: | (3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | 登録日 | 2023-07-29 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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1TVK
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![BU of 1tvk by Molmil](/molmil-images/mine/1tvk) | The binding mode of epothilone A on a,b-tubulin by electron crystallography | 分子名称: | EPOTHILONE A, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Nettles, J.H, Li, H, Cornett, B, Krahn, J.M, Snyder, J.P, Downing, K.H. | 登録日 | 2004-06-29 | 公開日 | 2004-09-14 | 最終更新日 | 2023-08-23 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.89 Å) | 主引用文献 | The binding mode of epothilone A on alpha,beta-tubulin by electron crystallography Science, 305, 2004
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6S11
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![BU of 6s11 by Molmil](/molmil-images/mine/6s11) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.445 Å) | 主引用文献 | Kinase Scaffold Repurposing in the Public Domain To be published
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6S14
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![BU of 6s14 by Molmil](/molmil-images/mine/6s14) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Kinase Scaffold Repurposing in the Public Domain To be published
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