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PDB: 304 results

6YJF
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BU of 6yjf by Molmil
Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from PEGSmear at pH 6.5
Descriptor: (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one, GLYCEROL, Phosphoglycerate kinase
Authors:Hyvonen, M, Brear, P, Blaszczyk, B.K.
Deposit date:2020-04-03
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Phosphoglycerate Kinase as a potential target for antimalarial therapy
to be published
1BTK
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BU of 1btk by Molmil
PH DOMAIN AND BTK MOTIF FROM BRUTON'S TYROSINE KINASE MUTANT R28C
Descriptor: BRUTON'S TYROSINE KINASE, SODIUM ION, ZINC ION
Authors:Hyvonen, M, Saraste, M.
Deposit date:1997-07-01
Release date:1997-09-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the PH domain and Btk motif from Bruton's tyrosine kinase: molecular explanations for X-linked agammaglobulinaemia.
EMBO J., 16, 1997
9EZ8
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BU of 9ez8 by Molmil
Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba.
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase
Authors:Chee, M, Trapani, S, Hoh, F, Lai Kee Him, J, Yvon, M, Blanc, S, Bron, P.
Deposit date:2024-04-11
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba.
To Be Published
4UQO
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BU of 4uqo by Molmil
RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION, ...
Authors:Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2014-06-24
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
5J4L
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BU of 5j4l by Molmil
Apo-structure of humanised RadA-mutant humRadA22F
Descriptor: CHLORIDE ION, DNA repair and recombination protein RadA
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-01
Release date:2016-10-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5JEE
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BU of 5jee by Molmil
Apo-structure of humanised RadA-mutant humRadA26F
Descriptor: CALCIUM ION, DNA repair and recombination protein RadA
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-18
Release date:2016-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5JFG
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BU of 5jfg by Molmil
Structure of humanised RadA-mutant humRadA22F in complex with peptide FHTA
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, DNA repair and recombination protein RadA, ...
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-19
Release date:2016-10-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Humanisation of RadA from Pyrococcus furiosus
To Be Published
6Q62
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BU of 6q62 by Molmil
Xanthomonas albilineans Dihydropteroate synthase in complex with (indole-2-carboxylic acid) and (6-chloroguanine)
Descriptor: 1,2-ETHANEDIOL, 1H-indole-2-carboxylic acid, 6-chloroguanine, ...
Authors:Oliveira, A.A, Hyvonen, M, Guido, R.V.C.
Deposit date:2018-12-10
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Xanthomonas albilineans Dihydropteroate synthase in complex with (indole-2-carboxylic acid) and (6-chloroguanine)
To Be Published
7ZWG
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BU of 7zwg by Molmil
The Crystal structure of RO4493940 bound to CK2alpha
Descriptor: (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Brear, P, Hyvonen, M.
Deposit date:2022-05-19
Release date:2023-05-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
7ZWE
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BU of 7zwe by Molmil
The Crystal structure of GW8695 bound to CK2alpha
Descriptor: 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha
Authors:Brear, P, Hyvonen, M.
Deposit date:2022-05-19
Release date:2023-05-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
5CLP
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BU of 5clp by Molmil
Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound
Descriptor: 2-(3,4-dichlorophenyl)ethanamine, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-16
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
7ZY0
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BU of 7zy0 by Molmil
Crystal structure of compound 7 bound to CK2alpha
Descriptor: 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-23
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7ZY8
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BU of 7zy8 by Molmil
Crystal structure of compound 2 bound to CK2alpha
Descriptor: 3-[3,5-bis(chloranyl)phenyl]propan-1-amine, ACETATE ION, Casein kinase II subunit alpha, ...
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-24
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7ZY5
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BU of 7zy5 by Molmil
Crystal structure of compound 2 bound to CK2alpha
Descriptor: 1-NAPHTHOL, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-23
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7ZY2
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BU of 7zy2 by Molmil
Crystal structure of compound 7 bound to CK2alpha
Descriptor: 5-bromanyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-23
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7OBI
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BU of 7obi by Molmil
Consensus tetratricopeptide repeat protein type RV4
Descriptor: CTPR-rv4, PHOSPHATE ION
Authors:Eapen, R.S, Perez-Riba, A, Fischer, G, Itzhaki, L.S, Hyvonen, M.
Deposit date:2021-04-22
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Unraveling the Mechanics of a Repeat-Protein Nanospring: From Folding of Individual Repeats to Fluctuations of the Superhelix.
Acs Nano, 16, 2022
7ZYO
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BU of 7zyo by Molmil
Compound 9 Bound to CK2alpha
Descriptor: 5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, Hyvonen, M.
Deposit date:2022-05-25
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7ZYD
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BU of 7zyd by Molmil
Structure of Compound 6 Bound to CK2alpha
Descriptor: 5-bromanyl-6-chloranyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, Hyvonen, M.
Deposit date:2022-05-24
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.404 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7ZYR
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BU of 7zyr by Molmil
Compound 20 Bound to CK2alpha
Descriptor: 5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, Hyvonen, M.
Deposit date:2022-05-25
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7ZYK
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BU of 7zyk by Molmil
Compound 9 Bound to CK2alpha
Descriptor: 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Brear, P, Hyvonen, M.
Deposit date:2022-05-25
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7Z8O
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BU of 7z8o by Molmil
Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide
Descriptor: 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ...
Authors:Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M.
Deposit date:2022-03-18
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
7NUF
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BU of 7nuf by Molmil
Vaccinia virus protein 018 in complex with STAT1
Descriptor: ACETYL GROUP, SULFATE ION, Signal transducer and activator of transcription 1-alpha/beta, ...
Authors:Pantelejevs, T, Talbot-Cooper, C, Smith, G.L, Hyvonen, M.
Deposit date:2021-03-12
Release date:2021-07-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.0004015 Å)
Cite:Poxviruses and paramyxoviruses use a conserved mechanism of STAT1 antagonism to inhibit interferon signaling.
Cell Host Microbe, 30, 2022
5UM2
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BU of 5um2 by Molmil
Functional and structural characterization of a Sulfate-binding protein (Sbp) from Xanthomonas citri
Descriptor: ABC transporter sulfate binding protein, GLYCEROL, SULFATE ION
Authors:Pereira, C.T, Hyvonen, M, Balan, A.
Deposit date:2017-01-26
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Sulfate-Binding Protein (Sbp) from Xanthomonas citri: Structure and Functional Insights.
Mol. Plant Microbe Interact., 30, 2017
6XTW
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BU of 6xtw by Molmil
HumRadA33F in complex with peptidic inhibitor 6
Descriptor: DNA repair and recombination protein RadA, SULFATE ION, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
Authors:Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
Deposit date:2020-01-16
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
8AAA
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BU of 8aaa by Molmil
Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide
Descriptor: 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide
Authors:Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M.
Deposit date:2022-06-30
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023

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