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PDB: 302 件
5LB2
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BU of 5lb2 by Molmil
Apo-structure of humanised RadA-mutant humRadA2
分子名称: DNA repair and recombination protein RadA
著者Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2016-06-15
公開日2016-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 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
6TV3
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BU of 6tv3 by Molmil
HumRadA1 in complex with 3-amino-2-naphthoic acid
分子名称: 3-azanylnaphthalene-2-carboxylic acid, DNA repair and recombination protein RadA, GLYCEROL, ...
著者Marsh, M.E, Hyvonen, M.
登録日2020-01-08
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 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
1LR7
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BU of 1lr7 by Molmil
Crystal structure of Fs1, the heparin-binding domain of follistatin, complexed with the heparin analogue sucrose octasulphate (SOS)
分子名称: SULFATE ION, follistatin
著者Innis, C.A, Hyvonen, M.
登録日2002-05-15
公開日2003-07-29
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structures of the Heparan Sulfate-binding Domain of Follistatin: Insights into ligand binding.
J.Biol.Chem., 278, 2003
1LR9
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STRUCTURE OF Fs1, THE HEPARIN-BINDING DOMAIN OF FOLLISTATIN
分子名称: Follistatin
著者Innis, C.A, Hyvonen, M.
登録日2002-05-15
公開日2003-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of the Heparan Sulfate-binding Domain of Follistatin: Insights into ligand binding.
J.Biol.Chem., 278, 2003
1LR8
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BU of 1lr8 by Molmil
Crystal structure of Fs1, the heparin-binding domain of follistatin, complexed with the heparin analogue D-myo-inositol hexasulphate (Ins6S)
分子名称: D-MYO-INOSITOL-HEXASULPHATE, Follistatin
著者Innis, C.A, Hyvonen, M.
登録日2002-05-15
公開日2003-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of the Heparan Sulfate-binding Domain of Follistatin: Insights into ligand binding.
J.Biol.Chem., 278, 2003
5JFG
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BU of 5jfg by Molmil
Structure of humanised RadA-mutant humRadA22F in complex with peptide FHTA
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, 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2016-04-19
公開日2016-10-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Humanisation of RadA from Pyrococcus furiosus
To Be Published
6YZH
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BU of 6yzh by Molmil
Crystal structure of P8C9 bound to CK2alpha
分子名称: ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, GLYCEROL, ...
著者Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
登録日2020-05-07
公開日2021-05-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
6Z19
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BU of 6z19 by Molmil
Crystal structure of P8C9 bound to CK2alpha
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
登録日2020-05-13
公開日2021-05-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
7QV8
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BU of 7qv8 by Molmil
Leishmania infantum BRC1 repeat in complex with LiRAD51
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA repair protein RAD51 homolog, DNA_repair_protein_BRCA2_-_putative, ...
著者Pantelejevs, T, Hyvonen, M.
登録日2022-01-20
公開日2022-03-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Divergent binding mode for a protozoan BRC repeat to RAD51.
Biochem.J., 479, 2022
6XUJ
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BU of 6xuj by Molmil
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
6Y6O
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BU of 6y6o by Molmil
Structure of mature activin A with small molecule 42
分子名称: (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION
著者McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M.
登録日2020-02-26
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
6Y6N
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BU of 6y6n by Molmil
Structure of mature activin A with small molecule 2
分子名称: (3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION
著者McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M.
登録日2020-02-26
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
6GIH
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BU of 6gih by Molmil
Crystal Structure of CK2alpha with CAM187 bound
分子名称: ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine
著者Brear, P, Iegre, J, North, A, De Fusco, C, Georgiou, K, Lubin, A, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2018-05-11
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Novel non-ATP competitive small molecules targeting the CK2 alpha / beta interface.
Bioorg. Med. Chem., 26, 2018
6GMD
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BU of 6gmd by Molmil
The crystal structure of CK2alpha in complex with compound 3
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, Iegre, J, North, A, De Fusco, C, Georgiou, K, Lubin, A, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2018-05-25
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Novel non-ATP competitive small molecules targeting the CK2 alpha / beta interface.
Bioorg. Med. Chem., 26, 2018
6H22
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BU of 6h22 by Molmil
Crystal structure of Mdm2 bound to a stapled peptide
分子名称: 12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium, E3 ubiquitin-protein ligase Mdm2, Stapled peptide
著者Wang, X, Sharma, K, Spring, D.R, Hyvonen, M.
登録日2018-07-12
公開日2019-07-31
最終更新日2019-09-11
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Water-soluble, stable and azide-reactive strained dialkynes for biocompatible double strain-promoted click chemistry.
Org.Biomol.Chem., 17, 2019
3P2Z
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BU of 3p2z by Molmil
Polo-like kinase I Polo-box domain in complex with PLHSpTA phosphopeptide from PBIP1
分子名称: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
著者Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P36
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BU of 3p36 by Molmil
Polo-like kinase I Polo-box domain in complex with DPPLHSpTA phosphopeptide from PBIP1
分子名称: GLYCEROL, PHOSPHATE ION, Serine/threonine-protein kinase PLK1, ...
著者Sledz, P, Stubbs, C.J, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P2W
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BU of 3p2w by Molmil
Unliganded form of Polo-like kinase I Polo-box domain
分子名称: GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PLK1
著者Sledz, P, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P34
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BU of 3p34 by Molmil
Polo-like kinase I Polo-box domain in complex with MQSpTPL phosphopeptide
分子名称: GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PLK1, ...
著者Sledz, P, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P35
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BU of 3p35 by Molmil
Polo-like kinase I Polo-box domain in complex with MQSpSPL phosphopeptide
分子名称: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
著者Sledz, P, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3P37
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BU of 3p37 by Molmil
Polo-like kinase I Polo-box domain in complex with FDPPLHSpTA phosphopeptide from PBIP1
分子名称: GLYCEROL, Serine/threonine-protein kinase PLK1, phosphopeptide
著者Sledz, P, Hyvonen, M, Abell, C.
登録日2010-10-04
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
3Q1I
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BU of 3q1i by Molmil
Polo-like kinase I Polo-box domain in complex with FMPPPMSpSM phosphopeptide from TCERG1
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
著者Sledz, P, Hyvonen, M, Abell, C.
登録日2010-12-17
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
6YPJ
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BU of 6ypj by Molmil
Crystal Structure of CK2alpha with Compound 1 bound
分子名称: 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2020-04-16
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
6YJE
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BU of 6yje by Molmil
Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from PEG3350 and ammonium acetate at pH 5.5
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, Phosphoglycerate kinase
著者Blaszczyk, B.K, Hyvonen, M.
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 (1.62 Å)
主引用文献Phosphoglycerate Kinase as a potential target for antimalarial therapy
to be published
7QE2
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BU of 7qe2 by Molmil
Crystal structure of D-glucuronic acid bound to SN243
分子名称: ACETATE ION, SN243, SULFATE ION, ...
著者Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F.
登録日2021-12-01
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022

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件を2024-05-29に公開中

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