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PDB: 304 件
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
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
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, LDPPLHSpTA phosphopeptide, ...
著者Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C.
登録日2012-03-21
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High-throughput interrogation of ligand binding mode using a fluorescence-based assay.
Angew. Chem. Int. Ed. Engl., 51, 2012
5MOE
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BU of 5moe by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-14
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5MP8
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BU of 5mp8 by Molmil
Crystal Structure of CK2alpha with ZT0432 bound
分子名称: (3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-16
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5CVH
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BU of 5cvh by Molmil
Crystal Structure of CK2alpha
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-26
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU0
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BU of 5cu0 by Molmil
Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound
分子名称: 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-24
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5CT0
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BU of 5ct0 by Molmil
Crystal structure of CK2alpha with 3-(3-chloro-4-(phenyl)benzylamino)propan-1-ol bound
分子名称: 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-23
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.008 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5CSH
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BU of 5csh by Molmil
Crystal Structure of CK2alpha with Compound 4 bound
分子名称: 1-(2-chlorobiphenyl-4-yl)methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-23
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5OP3
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BU of 5op3 by Molmil
Designed Ankyrin Repeat Protein (DARPin) NDNH-1 selected by directed evolution against Lysozyme
分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
著者Fischer, G, Hogan, B.J, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M.
登録日2017-08-09
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.359 Å)
主引用文献Designed Ankyrin Repeat Protein (DARPin) NDNH-1 selected by directed evolution against Lysozyme
To be published
5CTP
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BU of 5ctp by Molmil
Crystal structure of CK2alpha with N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound
分子名称: ACETATE ION, Casein kinase II subunit alpha, N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-24
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.033 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5BXU
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BU of 5bxu by Molmil
Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n4m5
分子名称: 4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole), CHLORIDE ION, Tankyrase-2, ...
著者Xu, W, Fischer, G, Hyvonen, M, Itzhaki, L.
登録日2015-06-09
公開日2016-06-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Human Tankyrase-2 in Complex with Extended Stapled Peptide sp4n4m5
to be published
5MOH
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BU of 5moh by Molmil
Crystal structure of CK2alpha with ZT0583 bound.
分子名称: 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-14
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5MOT
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BU of 5mot by Molmil
Crystal structure of CK2alpha with ZT0627 bound
分子名称: 4-HYDROXYBENZAMIDE, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-14
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5OP1
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BU of 5op1 by Molmil
Designed Ankyrin Repeat Protein (DARPin) A4 in complex with Lysozyme
分子名称: CHLORIDE ION, DARPin A4, Lysozyme C
著者Fischer, G, Hogan, B.J, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M.
登録日2017-08-09
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.284 Å)
主引用文献Designed Ankyrin Repeat Protein (DARPin) A4 in complex with Lysozyme
To be published
5CSV
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BU of 5csv by Molmil
Crystal Structure of CK2alpha with Compound 6 bound
分子名称: 3-AMINOBENZOIC ACID, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-23
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.375 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU4
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BU of 5cu4 by Molmil
Crystal structure of CK2alpha bound to CAM4066
分子名称: ACETATE ION, Casein kinase II subunit alpha, N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CVF
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BU of 5cvf by Molmil
Crystal Structure of CK2alpha with Compound 5 bound
分子名称: 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-26
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CVG
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BU of 5cvg by Molmil
Crystal Structure of CK2alpha with a novel closed conformation of the aD loop
分子名称: ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-26
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CSP
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BU of 5csp by Molmil
Crystal Structure of CK2alpha with Compound 5 bound
分子名称: 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-23
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU6
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BU of 5cu6 by Molmil
Crystal Structure of CK2alpha
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5MO5
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BU of 5mo5 by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
分子名称: ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ...
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-13
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5MPJ
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BU of 5mpj by Molmil
1-(2-chloro-[1,1'-biphenyl]-4-yl)-N-methylethanamine
分子名称: (3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-16
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5OOY
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BU of 5ooy by Molmil
Designed Ankyrin Repeat Protein (DARPin) VHAH-1 in complex with Lysozyme
分子名称: DARPin VHAH-1, Lysozyme C
著者Hogan, B.J, Fischer, G, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M.
登録日2017-08-09
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Designed Ankyrin Repeat Protein (DARPin) VHAH-1 in complex with Lysozyme
To be published
5MO6
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BU of 5mo6 by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
分子名称: 3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid, ACETATE ION, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-13
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.825 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5OOU
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BU of 5oou by Molmil
Designed Ankyrin Repeat Protein (DARPin) YTRL-1 selected by directed evolution against Lysozyme
分子名称: DARPin YTRL-1
著者Fischer, G, Hogan, B.J, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M.
登録日2017-08-08
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Designed Ankyrin Repeat Protein (DARPin) YTRL-1 selected by directed evolution against Lysozyme
To be published

221716

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