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) | |
6Y4Q
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![BU of 6y4q by Molmil](/molmil-images/mine/6y4q) | Structure of a stapled peptide bound to MDM2 | Descriptor: | ACE-LEU-THR-PHE-GLY-GLU-TYR-TRP-ALA-GLN-LEU-ALA-SER, E3 ubiquitin-protein ligase Mdm2, ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide | Authors: | Pantelejevs, T, Bakanovych, I. | Deposit date: | 2020-02-22 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Diarylethene moiety as an enthalpy-entropy switch: photoisomerizable stapled peptides for modulating p53/MDM2 interaction. Org.Biomol.Chem., 18, 2020
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4E9D
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![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
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4E67
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![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
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4E9C
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![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
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5OOV
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![BU of 5oov by Molmil](/molmil-images/mine/5oov) | Designed Ankyrin Repeat Protein (DARPin) ETVD-1 in complex with Lysozyme | Descriptor: | DARPin ETVD-1, Lysozyme C | Authors: | Houlihan, G, Fischer, G, Hogan, B.J, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M. | Deposit date: | 2017-08-08 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.365 Å) | Cite: | Designed Ankyrin Repeat Protein (DARPin) ETVD-1 in complex with Lysozyme To be published
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5OOS
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![BU of 5oos by Molmil](/molmil-images/mine/5oos) | Designed Ankyrin Repeat Protein (DARPin) YTRL-2 selected by directed evolution against Lysozyme | Descriptor: | CHLORIDE ION, DARPin YTRL-2, NONAETHYLENE GLYCOL | Authors: | Hogan, B.J, Fischer, G, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M. | Deposit date: | 2017-08-08 | Release date: | 2018-08-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Designed Ankyrin Repeat Protein (DARPin) YTRL-2 selected by directed evolution against Lysozyme To be published
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