5QUN
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![BU of 5qun by Molmil](/molmil-images/mine/5qun) | Structure of unliganded HumRadA1.6 | Descriptor: | PHOSPHATE ION, RadA | Authors: | Marsh, M, Hyvonen, M. | Deposit date: | 2020-01-27 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Optimisation of crystal forms for structure-guided drug discovery To be published
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5QUM
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![BU of 5qum by Molmil](/molmil-images/mine/5qum) | Structure of unliganded HumRadA1.4 | Descriptor: | RadA | Authors: | Marsh, M, Hyvonen, M. | Deposit date: | 2020-01-27 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Optimisation of crystal forms for structure-guided drug discovery To be published
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5QUL
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![BU of 5qul by Molmil](/molmil-images/mine/5qul) | Structure of unliganded HumRadA1.3 | Descriptor: | PHOSPHATE ION, RadA | Authors: | Marsh, M, Hyvonen, M. | Deposit date: | 2020-01-27 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.278 Å) | Cite: | Optimisation of crystal forms for structure-guided drug discovery To be published
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5QUT
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![BU of 5qut by Molmil](/molmil-images/mine/5qut) | |
5QUS
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![BU of 5qus by Molmil](/molmil-images/mine/5qus) | HumRadA1 soaked with 5 mM indazole in 10% DMSO | Descriptor: | 1H-indazole, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | Authors: | Marsh, M, Hyvonen, M. | Deposit date: | 2020-01-27 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.247 Å) | Cite: | Optimisation of crystal forms for structure-guided drug discovery To be published
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5QUU
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![BU of 5quu by Molmil](/molmil-images/mine/5quu) | HumRadA1 as soaking control with 10% DMSO | Descriptor: | DIMETHYL SULFOXIDE, PHOSPHATE ION, RadA | Authors: | Marsh, M, Hyvonen, M. | Deposit date: | 2020-01-27 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.248 Å) | Cite: | Optimisation of crystal forms for structure-guided drug discovery To be published
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5QUR
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![BU of 5qur by Molmil](/molmil-images/mine/5qur) | |
5NN1
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![BU of 5nn1 by Molmil](/molmil-images/mine/5nn1) | |
5HLY
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![BU of 5hly by Molmil](/molmil-images/mine/5hly) | |
5CU0
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![BU of 5cu0 by Molmil](/molmil-images/mine/5cu0) | Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound | Descriptor: | 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-24 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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5NFU
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![BU of 5nfu by Molmil](/molmil-images/mine/5nfu) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LHSpTA peptide | Descriptor: | Ac-LEU-HIS-SER-(TPO)-ALA, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-03-16 | Release date: | 2018-05-16 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (1.809 Å) | Cite: | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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5NEI
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![BU of 5nei by Molmil](/molmil-images/mine/5nei) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107 | Descriptor: | 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-03-10 | Release date: | 2018-02-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published
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5NTU
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![BU of 5ntu by Molmil](/molmil-images/mine/5ntu) | Crystal Structure of human Pro-myostatin Precursor at 2.6 A Resolution | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Growth/differentiation factor 8 | Authors: | Cotton, T.R, Fischer, G, Hyvonen, M. | Deposit date: | 2017-04-28 | Release date: | 2018-01-17 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure of the human myostatin precursor and determinants of growth factor latency. EMBO J., 37, 2018
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5CVH
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![BU of 5cvh by Molmil](/molmil-images/mine/5cvh) | Crystal Structure of CK2alpha | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-26 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
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3P2Z
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![BU of 3p2z by Molmil](/molmil-images/mine/3p2z) | Polo-like kinase I Polo-box domain in complex with PLHSpTA phosphopeptide from PBIP1 | Descriptor: | GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide | Authors: | Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C. | Deposit date: | 2010-10-04 | Release date: | 2011-04-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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3P36
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![BU of 3p36 by Molmil](/molmil-images/mine/3p36) | Polo-like kinase I Polo-box domain in complex with DPPLHSpTA phosphopeptide from PBIP1 | Descriptor: | GLYCEROL, PHOSPHATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C. | Deposit date: | 2010-10-04 | Release date: | 2011-04-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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3P2W
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![BU of 3p2w by Molmil](/molmil-images/mine/3p2w) | Unliganded form of Polo-like kinase I Polo-box domain | Descriptor: | GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PLK1 | Authors: | Sledz, P, Hyvonen, M, Abell, C. | Deposit date: | 2010-10-04 | Release date: | 2011-04-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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3P34
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![BU of 3p34 by Molmil](/molmil-images/mine/3p34) | Polo-like kinase I Polo-box domain in complex with MQSpTPL phosphopeptide | Descriptor: | GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Sledz, P, Hyvonen, M, Abell, C. | Deposit date: | 2010-10-04 | Release date: | 2011-04-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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5NB8
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![BU of 5nb8 by Molmil](/molmil-images/mine/5nb8) | Structure of vWC domain from CCN3 | Descriptor: | GLYCEROL, IMIDAZOLE, Protein NOV homolog | Authors: | Xu, E.-R, Hyvonen, M. | Deposit date: | 2017-03-01 | Release date: | 2017-06-14 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analyses of von Willebrand factor C domains of collagen 2A and CCN3 reveal an alternative mode of binding to bone morphogenetic protein-2. J. Biol. Chem., 292, 2017
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5NMM
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![BU of 5nmm by Molmil](/molmil-images/mine/5nmm) | The structure of the polo-box domain (PBD) of Plk1 in complex with Alpha-Bromo-3-Iodotoluene. | Descriptor: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-04-06 | Release date: | 2018-02-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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3Q1I
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![BU of 3q1i by Molmil](/molmil-images/mine/3q1i) | Polo-like kinase I Polo-box domain in complex with FMPPPMSpSM phosphopeptide from TCERG1 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Sledz, P, Hyvonen, M, Abell, C. | Deposit date: | 2010-12-17 | Release date: | 2011-04-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1 Angew.Chem.Int.Ed.Engl., 50, 2011
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5CT0
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![BU of 5ct0 by Molmil](/molmil-images/mine/5ct0) | Crystal structure of CK2alpha with 3-(3-chloro-4-(phenyl)benzylamino)propan-1-ol bound | Descriptor: | 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-23 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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5NN2
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![BU of 5nn2 by Molmil](/molmil-images/mine/5nn2) | The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490 | Descriptor: | (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-04-07 | Release date: | 2018-02-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published
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5CTP
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![BU of 5ctp by Molmil](/molmil-images/mine/5ctp) | Crystal structure of CK2alpha with N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide, ... | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-24 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.033 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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5NJE
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![BU of 5nje by Molmil](/molmil-images/mine/5nje) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with Alpha-Bromo-3-Iodotoluene. | Descriptor: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-03-28 | Release date: | 2018-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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