5QUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5quq by Molmil](/molmil-images/mine/5quq) | |
5QUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qup by Molmil](/molmil-images/mine/5qup) | |
5QUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5quj by Molmil](/molmil-images/mine/5quj) | |
5QUK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5quk by Molmil](/molmil-images/mine/5quk) | Structure of unliganded HumRadA1.2 | 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 (1.16 Å) | Cite: | Optimisation of crystal forms for structure-guided drug discovery To be published
|
|
5QUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5QUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5QUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5QUT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qut by Molmil](/molmil-images/mine/5qut) | |
5QUS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5QUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5QUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qur by Molmil](/molmil-images/mine/5qur) | |
5NN2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5NEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5CSV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5csv by Molmil](/molmil-images/mine/5csv) | Crystal Structure of CK2alpha with Compound 6 bound | Descriptor: | 3-AMINOBENZOIC ACID, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-23 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.375 Å) | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
|
|
5CU4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cu4 by Molmil](/molmil-images/mine/5cu4) | Crystal structure of CK2alpha bound to CAM4066 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-24 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
|
|
5CVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cvg by Molmil](/molmil-images/mine/5cvg) | Crystal Structure of CK2alpha with a novel closed conformation of the aD loop | Descriptor: | ACETATE ION, 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 (1.25 Å) | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
|
|
5CSP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5csp by Molmil](/molmil-images/mine/5csp) | Crystal Structure of CK2alpha with Compound 5 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: | 2015-07-23 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
|
|
5CU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cu6 by Molmil](/molmil-images/mine/5cu6) | Crystal Structure of CK2alpha | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, 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: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
|
|
5NXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nxs by Molmil](/molmil-images/mine/5nxs) | |
5NIR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nir by Molmil](/molmil-images/mine/5nir) | Crystal structure of collagen 2A vWC domain | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Collagen alpha-1(II) chain, ... | Authors: | Fischer, G, Blythe, E, Hyvonen, M. | Deposit date: | 2017-03-27 | Release date: | 2017-06-14 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (1.74 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
|
|
5OP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5op3 by Molmil](/molmil-images/mine/5op3) | Designed Ankyrin Repeat Protein (DARPin) NDNH-1 selected by directed evolution against Lysozyme | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Fischer, G, Hogan, B.J, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M. | Deposit date: | 2017-08-09 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.359 Å) | Cite: | Designed Ankyrin Repeat Protein (DARPin) NDNH-1 selected by directed evolution against Lysozyme To be published
|
|
4E9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e9d by Molmil](/molmil-images/mine/4e9d) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide | Descriptor: | 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide, GLYCEROL, Serine/threonine-protein kinase PLK1 | Authors: | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | Deposit date: | 2012-03-21 | Release date: | 2012-10-10 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | High-throughput interrogation of ligand binding mode using a fluorescence-based assay. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
4E67
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e67 by Molmil](/molmil-images/mine/4e67) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with hydrocinnamoyl-derivatized PLHSpTA peptide | Descriptor: | Serine/threonine-protein kinase PLK1, hydrocinnamoyl-derivatized PLHSpTA peptide | Authors: | Sledz, P, Hyvonen, M, Tan, Y.S, Lang, S, Spring, D, Abell, C, Best, R.B. | Deposit date: | 2012-03-15 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
5OP1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5op1 by Molmil](/molmil-images/mine/5op1) | Designed Ankyrin Repeat Protein (DARPin) A4 in complex with Lysozyme | Descriptor: | CHLORIDE ION, DARPin A4, Lysozyme C | Authors: | Fischer, G, Hogan, B.J, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M. | Deposit date: | 2017-08-09 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.284 Å) | Cite: | Designed Ankyrin Repeat Protein (DARPin) A4 in complex with Lysozyme To be published
|
|
4E9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e9c by Molmil](/molmil-images/mine/4e9c) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LDPPLHSpTA phosphopeptide | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, LDPPLHSpTA phosphopeptide, ... | Authors: | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | Deposit date: | 2012-03-21 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High-throughput interrogation of ligand binding mode using a fluorescence-based assay. Angew. Chem. Int. Ed. Engl., 51, 2012
|
|