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5QUM
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BU of 5qum by Molmil
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
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BU of 5qul by Molmil
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
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BU of 5qut by Molmil
HumRadA1 soaked with 10 mM indazole in 10% DMSO
Descriptor: 1H-indazole, 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
5QUS
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BU of 5qus by Molmil
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
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BU of 5quu by Molmil
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
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BU of 5qur by Molmil
HumRadA1 soaked with 2 mM indazole in 10% DMSO
Descriptor: 1H-indazole, 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 (1.247 Å)
Cite:Optimisation of crystal forms for structure-guided drug discovery
To be published
6Y4Q
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BU of 6y4q by Molmil
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
4E9D
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BU of 4e9d by Molmil
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
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BU of 4e67 by Molmil
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
4E9C
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BU of 4e9c by Molmil
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
5OOV
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BU of 5oov by Molmil
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
5OOS
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BU of 5oos by Molmil
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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