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PDB: 305 件
6YJF
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Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from PEGSmear at pH 6.5
分子名称: (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
著者Hyvonen, M, Brear, P, Blaszczyk, B.K.
登録日2020-04-03
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Phosphoglycerate Kinase as a potential target for antimalarial therapy
to be published
1BTK
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PH DOMAIN AND BTK MOTIF FROM BRUTON'S TYROSINE KINASE MUTANT R28C
分子名称: BRUTON'S TYROSINE KINASE, SODIUM ION, ZINC ION
著者Hyvonen, M, Saraste, M.
登録日1997-07-01
公開日1997-09-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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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Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba.
分子名称: 6,7-dimethyl-8-ribityllumazine synthase
著者Chee, M, Trapani, S, Hoh, F, Lai Kee Him, J, Yvon, M, Blanc, S, Bron, P.
登録日2024-04-11
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba.
To Be Published
4UQO
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RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION, ...
著者Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2014-06-24
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
5J4K
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Structure of humanised RadA-mutant humRadA22F in complex with 1-Indane-6-carboxylic acid
分子名称: 2,3-dihydro-1H-indene-2-carboxylic acid, CALCIUM ION, DNA repair and recombination protein RadA, ...
著者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.
登録日2016-04-01
公開日2016-10-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.346 Å)
主引用文献Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5JEC
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Apo-structure of humanised RadA-mutant humRadA33F
分子名称: CHLORIDE ION, DNA repair and recombination protein RadA, SULFATE ION
著者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.
登録日2016-04-18
公開日2016-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5J4H
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Structure of humanised RadA-mutant humRadA22F in complex with indole-6-carboxylic acid
分子名称: 1H-indole-6-carboxylic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者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.
登録日2016-04-01
公開日2016-10-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.374 Å)
主引用文献Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5JED
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Apo-structure of humanised RadA-mutant humRadA28
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者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.
登録日2016-04-18
公開日2016-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.332 Å)
主引用文献Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
6FVG
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The Structure of CK2alpha with CCh507 bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate
著者Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M.
登録日2018-03-02
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.
Sci Rep, 9, 2019
6FNY
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CRYSTAL STRUCTURE OF A CHOLINE SULFATASE FROM SINORHIZOBIUM MELLILOTI
分子名称: CALCIUM ION, Choline-sulfatase
著者Valkov, E, Van Loo, B, Hollfelder, F, Hyvonen, M.
登録日2018-02-05
公開日2018-02-28
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural and Mechanistic Analysis of the Choline Sulfatase from Sinorhizobium melliloti: A Class I Sulfatase Specific for an Alkyl Sulfate Ester.
J. Mol. Biol., 430, 2018
5OTH
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BU of 5oth by Molmil
The crystal structure of CK2alpha in complex with compound 26
分子名称: ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTO
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The crystal structure of CK2alpha in complex with compound 30
分子名称: 2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTR
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The crystal structure of CK2alpha in complex with compound 14
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
8Q03
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BU of 8q03 by Molmil
Metagenomic lipase ORF30
分子名称: GLYCEROL, ORF30, SULFATE ION, ...
著者Rangel Pereira, M, Balan, A, Hyvonen, M.
登録日2023-07-27
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Lipases isolated from metagenomic libraries
To Be Published
7OBI
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BU of 7obi by Molmil
Consensus tetratricopeptide repeat protein type RV4
分子名称: CTPR-rv4, PHOSPHATE ION
著者Eapen, R.S, Perez-Riba, A, Fischer, G, Itzhaki, L.S, Hyvonen, M.
登録日2021-04-22
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Unraveling the Mechanics of a Repeat-Protein Nanospring: From Folding of Individual Repeats to Fluctuations of the Superhelix.
Acs Nano, 16, 2022
7NUF
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BU of 7nuf by Molmil
Vaccinia virus protein 018 in complex with STAT1
分子名称: ACETYL GROUP, SULFATE ION, Signal transducer and activator of transcription 1-alpha/beta, ...
著者Pantelejevs, T, Talbot-Cooper, C, Smith, G.L, Hyvonen, M.
登録日2021-03-12
公開日2021-07-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.0004015 Å)
主引用文献Poxviruses and paramyxoviruses use a conserved mechanism of STAT1 antagonism to inhibit interferon signaling.
Cell Host Microbe, 30, 2022
6XTW
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BU of 6xtw by Molmil
HumRadA33F in complex with peptidic inhibitor 6
分子名称: 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
著者Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6XUF
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HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21
分子名称: 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION
著者Marsh, M.E, Scott, D.E, Hyvonen, M.E.
登録日2020-01-19
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.241 Å)
主引用文献Optimising crystallographic systems for structure-guided drug discovery
To be published
6XUJ
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HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21212
分子名称: 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION
著者Marsh, M.E, Scott, D.E, Hyvonen, M.
登録日2020-01-20
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Optimising crystallographic systems for structure-guided drug discovery
To be published
7Z8O
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BU of 7z8o by Molmil
Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide
分子名称: 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ...
著者Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M.
登録日2022-03-18
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
4UPH
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BU of 4uph by Molmil
Crystal Structure of Phosphonate Monoester Hydrolase of Agrobacterium radiobacter
分子名称: CHLORIDE ION, MAGNESIUM ION, SULFATASE (SULFURIC ESTER HYDROLASE) PROTEIN
著者Fischer, G, Loo, B.v, Hyvonen, M, Hollfelder, F.
登録日2014-06-17
公開日2015-07-01
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Balancing Specificity and Promiscuity in Enzyme Evolution: Multidimensional Activity Transitions in the Alkaline Phosphatase Superfamily.
J.Am.Chem.Soc., 141, 2019
4UPI
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Dimeric sulfatase SpAS1 from Silicibacter pomeroyi
分子名称: SULFATASE FAMILY PROTEIN, ZINC ION
著者Jonas, S, van Loo, B, Hollfelder, F, Hyvonen, M.
登録日2014-06-17
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Balancing Specificity and Promiscuity in Enzyme Evolution: Multidimensional Activity Transitions in the Alkaline Phosphatase Superfamily.
J.Am.Chem.Soc., 141, 2019
4UPK
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Phosphonate monoester hydrolase SpPMH from Silicibacter pomeroyi
分子名称: PHOSPHONATE MONOESTER HYDROLASE
著者Valkov, E, van Loo, B, Hollfelder, F, Hyvonen, M.
登録日2014-06-17
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Balancing Specificity and Promiscuity in Enzyme Evolution: Multidimensional Activity Transitions in the Alkaline Phosphatase Superfamily.
J.Am.Chem.Soc., 141, 2019
8BYJ
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The structures of Ace2 in complex with bicyclic peptide inhibitor
分子名称: 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA, Processed angiotensin-converting enzyme 2, ...
著者Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M.
登録日2022-12-13
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
8C14
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Aurora A kinase in complex with TPX2-inhibitor 9
分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ...
著者Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2022-12-20
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published

223532

件を2024-08-07に公開中

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