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1MPH
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BU of 1mph by Molmil
PLECKSTRIN HOMOLOGY DOMAIN FROM MOUSE BETA-SPECTRIN, NMR, 50 STRUCTURES
分子名称: BETA SPECTRIN
著者Nilges, M, Macias, M.J, O'Donoghue, S.I, Oschkinat, H.
登録日1997-04-23
公開日1997-06-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Automated NOESY interpretation with ambiguous distance restraints: the refined NMR solution structure of the pleckstrin homology domain from beta-spectrin.
J.Mol.Biol., 269, 1997
6XUF
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BU of 6xuf by Molmil
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
1BWN
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BU of 1bwn by Molmil
PH DOMAIN AND BTK MOTIF FROM BRUTON'S TYROSINE KINASE MUTANT E41K IN COMPLEX WITH INS(1,3,4,5)P4
分子名称: BRUTON'S TYROSINE KINASE, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ZINC ION
著者Djinovic Carugo, K, Baraldi, E, Hyvoenen, M, Lo Surdo, P, Riley, A, Potter, B, Saraste, M.
登録日1998-09-25
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the PH domain from Bruton's tyrosine kinase in complex with inositol 1,3,4,5-tetrakisphosphate.
Structure Fold.Des., 7, 1999
1B55
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BU of 1b55 by Molmil
PH DOMAIN FROM BRUTON'S TYROSINE KINASE IN COMPLEX WITH INOSITOL 1,3,4,5-TETRAKISPHOSPHATE
分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, TYROSINE-PROTEIN KINASE BTK, ZINC ION
著者Djinovic Carugo, K, Baraldi, E, Hyvoenen, M, Lo Surdo, P, Riley, A.M, Potter, B.V.L, O'Brien, R, Ladbury, J.E, Saraste, M.
登録日1999-01-12
公開日1999-06-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the PH domain from Bruton's tyrosine kinase in complex with inositol 1,3,4,5-tetrakisphosphate.
Structure Fold.Des., 7, 1999
5UM2
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BU of 5um2 by Molmil
Functional and structural characterization of a Sulfate-binding protein (Sbp) from Xanthomonas citri
分子名称: ABC transporter sulfate binding protein, GLYCEROL, SULFATE ION
著者Pereira, C.T, Hyvonen, M, Balan, A.
登録日2017-01-26
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Sulfate-Binding Protein (Sbp) from Xanthomonas citri: Structure and Functional Insights.
Mol. Plant Microbe Interact., 30, 2017
6Y6Z
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BU of 6y6z by Molmil
Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 1
分子名称: GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate
著者Newman, H, Bellini, D, Dowson, C.G.
登録日2020-02-27
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 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
6Y6U
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BU of 6y6u by Molmil
Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 6
分子名称: 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, D, Dowson, C.G.
登録日2020-02-27
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 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
6FVF
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BU of 6fvf by Molmil
The Structure of CK2alpha with CCh503 bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-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 (1.47 Å)
主引用文献Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.
Sci Rep, 9, 2019
6FVG
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BU of 6fvg by Molmil
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
6Y4Q
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BU of 6y4q by Molmil
Structure of a stapled peptide bound to MDM2
分子名称: ACE-LEU-THR-PHE-GLY-GLU-TYR-TRP-ALA-GLN-LEU-ALA-SER, E3 ubiquitin-protein ligase Mdm2, ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide
著者Pantelejevs, T, Bakanovych, I.
登録日2020-02-22
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Diarylethene moiety as an enthalpy-entropy switch: photoisomerizable stapled peptides for modulating p53/MDM2 interaction.
Org.Biomol.Chem., 18, 2020
5QUE
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BU of 5que by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 10 minutes at 20 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 (1.3 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUF
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BU of 5quf by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 20 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 (1.35 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUB
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BU of 5qub by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 30 seconds at 20 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 (1.35 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUC
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BU of 5quc by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 60 seconds at 20 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 (1.43 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUH
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BU of 5quh by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 2 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 (1.38 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUD
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BU of 5qud by Molmil
HumRadA1.2 soaked with napht-2,3-diol for 5 minutes at 20 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 (1.3 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUG
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BU of 5qug by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 1 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 (1.48 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUO
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BU of 5quo by Molmil
HumRadA1 soaked with 0.2 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 (1.342 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
5QUI
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BU of 5qui by Molmil
HumRadA1.2 soaked with napht-2,3-diol overnight at 5 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 (1.4 Å)
主引用文献Optimisation of crystal forms for structure-guided drug discovery
To be published
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

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