5ACB
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![BU of 5acb by Molmil](/molmil-images/mine/5acb) | Crystal Structure of the Human Cdk12-Cyclink Complex | Descriptor: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | Authors: | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2015-08-14 | Release date: | 2016-06-15 | Last modified: | 2016-10-05 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors. Nat.Chem.Biol., 12, 2016
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8PYJ
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![BU of 8pyj by Molmil](/molmil-images/mine/8pyj) | Human IGF1R with inhibitor 8 | Descriptor: | 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione, CADMIUM ION, Insulin-like growth factor 1 receptor beta chain, ... | Authors: | Dreyer, M.K, Wang, J, Elkins, J.M. | Deposit date: | 2023-07-25 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Human IGF1R with inhibitor 8 To Be Published
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8PYK
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![BU of 8pyk by Molmil](/molmil-images/mine/8pyk) | Human IGF1R with inhibitor 47 | Descriptor: | 5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione, Insulin-like growth factor 1 receptor beta chain, NICKEL (II) ION | Authors: | Dreyer, M.K, Wang, J, Elkins, J.M. | Deposit date: | 2023-07-25 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Human IGF1R with inhibitor 47 To Be Published
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8PYL
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![BU of 8pyl by Molmil](/molmil-images/mine/8pyl) | Human IGF1R with inhibitor 53 | Descriptor: | (5S)-5-methyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione, CADMIUM ION, Insulin-like growth factor 1 receptor beta chain, ... | Authors: | Dreyer, M.K, Wang, J, Elkins, J.M. | Deposit date: | 2023-07-25 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Human IGF1R with inhibitor 53 To Be Published
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8PYN
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![BU of 8pyn by Molmil](/molmil-images/mine/8pyn) | Human IGF1R with inhibitor 56 | Descriptor: | 5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione, CADMIUM ION, Insulin-like growth factor 1 receptor beta chain, ... | Authors: | Dreyer, M.K, Wang, J, Elkins, J.M. | Deposit date: | 2023-07-25 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Human IGF1R with inhibitor 56 To Be Published
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8PYM
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![BU of 8pym by Molmil](/molmil-images/mine/8pym) | Human IGF1R with inhibitor 54 | Descriptor: | 5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione, CADMIUM ION, Insulin-like growth factor 1 receptor beta chain, ... | Authors: | Dreyer, M.K, Wang, J, Elkins, J.M. | Deposit date: | 2023-07-25 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.652 Å) | Cite: | Human IGF1R with inhibitor 54 To Be Published
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5L4Q
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![BU of 5l4q by Molmil](/molmil-images/mine/5l4q) | Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1 (AAK1 Dual Inhibitor) | Descriptor: | 1,2-ETHANEDIOL, AP2-associated protein kinase 1, ~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide | Authors: | Sorrell, F.J, Williams, E, Fox, N, Abdul Azeez, K.R, Gileadi, O, von Delft, F, Edwards, A.M, Bountra, C, Elkins, J.M, Knapp, S. | Deposit date: | 2016-05-26 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity. J.Med.Chem., 2019
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2RFJ
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![BU of 2rfj by Molmil](/molmil-images/mine/2rfj) | Crystal structure of the bromo domain 1 in human bromodomain containing protein, testis specific (BRDT) | Descriptor: | Bromodomain testis-specific protein | Authors: | Filippakopoulos, P, Salah, E, Savitsky, P, Keates, T, Parizotto, E, Elkins, J, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-09-30 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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6NCG
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![BU of 6ncg by Molmil](/molmil-images/mine/6ncg) | Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor | Descriptor: | 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide, SULFATE ION, Serine/threonine-protein kinase VRK2 | Authors: | dos Reis, C.V, Chiodi, C.G, de Souza, G.P, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Counago, R.M, Massirer, K.B, Elkins, J.M, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-11 | Release date: | 2019-01-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor To Be Published
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5TE0
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![BU of 5te0 by Molmil](/molmil-images/mine/5te0) | Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120 | Descriptor: | AP2-associated protein kinase 1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Counago, R.M, Elkins, J.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-20 | Release date: | 2016-11-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120 To Be Published
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3KHF
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![BU of 3khf by Molmil](/molmil-images/mine/3khf) | The crystal structure of the PDZ domain of human Microtubule Associated Serine/Threonine Kinase 3 (MAST3) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated serine/threonine-protein kinase 3 | Authors: | Roos, A, Elkins, J, Savitsky, P, Wang, J, Ugochukwu, E, Murray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-10-30 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The crystal structure of the PDZ domain of human Microtubule Associated Serine/Threonine Kinase 3 (MAST3) To be Published
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6HXF
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![BU of 6hxf by Molmil](/molmil-images/mine/6hxf) | Human STK10 bound to a maleimide inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione, CHLORIDE ION, ... | Authors: | Sorrell, F.J, Salah, E, Serafim, R.A.M, Savitsky, P.A, Krojer, T, Bailey, H.J, Pinkas, D, Burgess-Brown, N.A, von Delft, F, Knapp, S, Arrowsmith, C, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2018-10-17 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Human STK10 bound to a maleimide inhibitor To Be Published
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1UPC
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![BU of 1upc by Molmil](/molmil-images/mine/1upc) | Carboxyethylarginine synthase from Streptomyces clavuligerus | Descriptor: | CARBOXYETHYLARGININE SYNTHASE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Caines, M.E.C, Elkins, J.M, Hewitson, K.S, Schofield, C.J. | Deposit date: | 2003-09-29 | Release date: | 2003-11-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure and Mechanistic Implications of N2-(2-Carboxyethyl)Arginine Synthase, the First Enzyme in the Clavulanic Acid Biosynthesis Pathway J.Biol.Chem., 279, 2004
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1UPA
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![BU of 1upa by Molmil](/molmil-images/mine/1upa) | Carboxyethylarginine synthase from Streptomyces clavuligerus (SeMet structure) | Descriptor: | CARBOXYETHYLARGININE SYNTHASE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Caines, M.E.C, Elkins, J.M, Hewitson, K.S, Schofield, C.J. | Deposit date: | 2003-09-29 | Release date: | 2003-11-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure and Mechanistic Implications of N2-(2-Carboxyethyl)Arginine Synthase, the First Enzyme in the Clavulanic Acid Biosynthesis Pathway J.Biol.Chem., 279, 2004
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1UPB
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![BU of 1upb by Molmil](/molmil-images/mine/1upb) | Carboxyethylarginine synthase from Streptomyces clavuligerus | Descriptor: | CARBOXYETHYLARGININE SYNTHASE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Caines, M.E.C, Elkins, J.M, Hewitson, K.S, Schofield, C.J. | Deposit date: | 2003-09-29 | Release date: | 2003-11-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure and Mechanistic Implications of N2-(2-Carboxyethyl)Arginine Synthase, the First Enzyme in the Clavulanic Acid Biosynthesis Pathway J.Biol.Chem., 279, 2004
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6HK6
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![BU of 6hk6 by Molmil](/molmil-images/mine/6hk6) | Human RIOK2 bound to inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-naphthalen-2-yl-~{N}-pyridin-2-yl-ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Wang, J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M. | Deposit date: | 2018-09-05 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of human RIOK2 bound to a specific inhibitor. Open Biology, 9, 2019
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6FD3
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![BU of 6fd3 by Molmil](/molmil-images/mine/6fd3) | Thiophosphorylated PAK3 kinase domain | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sorrell, F.J, Wang, D, von Delft, F, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2017-12-21 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Solution structures and biophysical analysis of full-length group A PAKs reveal they are monomeric and auto-inhibited incis. Biochem.J., 476, 2019
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6HVD
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![BU of 6hvd by Molmil](/molmil-images/mine/6hvd) | Human SLK bound to a maleimide inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione, STE20-like serine/threonine-protein kinase, ... | Authors: | Sorrell, F.J, Berger, B.T, Salah, E, Serafim, R.A.M, Savitsky, P.A, Krojer, T, Bailey, H.J, Pinkas, D, Burgess-Brown, N.A, von Delft, F, Knapp, S, Arrowsmith, C, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2018-10-10 | Release date: | 2018-10-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Human SLK bound to a maleimide inhibitor 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 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, TETRAETHYLENE GLYCOL, ... | Authors: | 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. | Deposit date: | 2019-06-18 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Mining Public Domain Data to Develop Selective DYRK1A Inhibitors. Acs Med.Chem.Lett., 11, 2020
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2ATV
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![BU of 2atv by Molmil](/molmil-images/mine/2atv) | The crystal structure of human RERG in the GDP bound state | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAS-like estrogen-regulated growth inhibitor | Authors: | Turnbull, A.P, Salah, E, Schoch, G, Elkins, J, Burgess, N, Gileadi, O, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-26 | Release date: | 2005-10-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of human RERG in the GDP bound state To be Published
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6S1J
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![BU of 6s1j by Molmil](/molmil-images/mine/6s1j) | Crystal Structure of DYRK1A with small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine, DIMETHYL SULFOXIDE, ... | Authors: | 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. | Deposit date: | 2019-06-18 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.408 Å) | Cite: | Kinase Scaffold Repurposing in the Public Domain To be published
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6S17
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![BU of 6s17 by Molmil](/molmil-images/mine/6s17) | Crystal Structure of DYRK1A with small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | Authors: | 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. | Deposit date: | 2019-06-18 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Kinase Scaffold Repurposing in the Public Domain To be published
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6S1B
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![BU of 6s1b by Molmil](/molmil-images/mine/6s1b) | Crystal Structure of DYRK1A with small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | Authors: | 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. | Deposit date: | 2019-06-18 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Kinase Scaffold Repurposing in the Public Domain To be published
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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 | Descriptor: | 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | 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. | Deposit date: | 2019-06-18 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.445 Å) | Cite: | 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 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | Authors: | 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. | Deposit date: | 2019-06-18 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Kinase Scaffold Repurposing in the Public Domain To be published
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