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PDB: 304 件
5QUQ
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BU of 5quq by Molmil
HumRadA1 soaked with 1 mM indazole in 10% DMSO
分子名称: PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.249 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUP
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BU of 5qup by Molmil
HumRadA1 soaked with 0.5 mM indazole in 10% DMSO
分子名称: PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUJ
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BU of 5quj by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight 10 mM
分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUK
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BU of 5quk by Molmil
Structure of unliganded HumRadA1.2
分子名称: PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUN
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BU of 5qun by Molmil
Structure of unliganded HumRadA1.6
分子名称: PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUM
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BU of 5qum by Molmil
Structure of unliganded HumRadA1.4
分子名称: RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献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
分子名称: PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.278 Å)
主引用文献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
分子名称: 1H-indazole, PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.248 Å)
主引用文献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
分子名称: 1H-indazole, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.247 Å)
主引用文献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
分子名称: DIMETHYL SULFOXIDE, PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.248 Å)
主引用文献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
分子名称: 1H-indazole, PHOSPHATE ION, RadA
著者Marsh, M, Hyvonen, M.
登録日2020-01-27
公開日2021-03-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.247 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5NN2
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BU of 5nn2 by Molmil
The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490
分子名称: (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid, Serine/threonine-protein kinase PLK1
著者Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M.
登録日2017-04-07
公開日2018-02-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain.
To Be Published
5NEI
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BU of 5nei by Molmil
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107
分子名称: 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid, Serine/threonine-protein kinase PLK1
著者Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M.
登録日2017-03-10
公開日2018-02-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain.
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
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
5NXS
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BU of 5nxs by Molmil
Crystal Structure of Human Pro-myostatin Precursor at 4.2 A Resolution with Experimental Phases from SeMet labelling
分子名称: Growth/differentiation factor 8
著者Cotton, T.R, Fischer, G, Hyvonen, M.
登録日2017-05-10
公開日2018-01-17
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (4.19 Å)
主引用文献Structure of the human myostatin precursor and determinants of growth factor latency.
EMBO J., 37, 2018
5NIR
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BU of 5nir by Molmil
Crystal structure of collagen 2A vWC domain
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Collagen alpha-1(II) chain, ...
著者Fischer, G, Blythe, E, Hyvonen, M.
登録日2017-03-27
公開日2017-06-14
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural analyses of von Willebrand factor C domains of collagen 2A and CCN3 reveal an alternative mode of binding to bone morphogenetic protein-2.
J. Biol. Chem., 292, 2017
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
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
分子名称: 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide, GLYCEROL, Serine/threonine-protein kinase PLK1
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2012-12-12
実験手法X-RAY DIFFRACTION (2.75 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
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
分子名称: Serine/threonine-protein kinase PLK1, hydrocinnamoyl-derivatized PLHSpTA peptide
著者Sledz, P, Hyvonen, M, Tan, Y.S, Lang, S, Spring, D, Abell, C, Best, R.B.
登録日2012-03-15
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
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
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

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