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PDB: 96 件
5KBR
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BU of 5kbr by Molmil
Pak1 in complex with 7-azaindole inhibitor
分子名称: (4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]methanone, Serine/threonine-protein kinase PAK 1
著者Ferguson, A.
登録日2016-06-03
公開日2016-09-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors.
ACS Med Chem Lett, 7, 2016
5KBQ
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Pak1 in complex with bis-anilino pyrimidine inhibitor
分子名称: Serine/threonine-protein kinase PAK 1, [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol
著者Ferguson, A.
登録日2016-06-03
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors.
ACS Med Chem Lett, 7, 2016
5H8E
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BU of 5h8e by Molmil
Crystal structure of CK2 with compound 7h
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Ferguson, A.D.
登録日2015-12-23
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Acs Med.Chem.Lett., 7, 2016
5H8G
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BU of 5h8g by Molmil
Crystal structure of CK2 with compound 7b
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Ferguson, A.D.
登録日2015-12-23
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Acs Med.Chem.Lett., 7, 2016
5H8B
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BU of 5h8b by Molmil
Crystal structure of CK2 with compound 2
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Ferguson, A.D.
登録日2015-12-23
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Acs Med.Chem.Lett., 7, 2016
1ZZV
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BU of 1zzv by Molmil
Solution NMR Structure of the Periplasmic Signaling Domain of the Outer Membrane Iron Transporter FecA from Escherichia coli.
分子名称: Iron(III) dicitrate transport protein fecA
著者Ferguson, A.D, Amezcua, C.A, Chelliah, Y, Rosen, M.K, Deisenhofer, J.
登録日2005-06-14
公開日2006-09-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Signal transduction pathway of TonB-dependent transporters.
Proc.Natl.Acad.Sci.Usa, 2, 2006
2A02
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BU of 2a02 by Molmil
Solution NMR Structure of the Periplasmic Signaling Domain of the Outer Membrane Iron Transporter PupA from Pseudomonas putida.
分子名称: Ferric-pseudobactin 358 receptor
著者Ferguson, A.D, Amezcua, C.A, Chelliah, Y, Rosen, M.K, Deisenhofer, J.
登録日2005-06-15
公開日2006-09-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Signal transduction pathway of TonB-dependent transporters.
Proc.Natl.Acad.Sci.Usa, 2, 2006
5KJK
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BU of 5kjk by Molmil
SMYD2 in complex with AZ370
分子名称: (R,R)-2,3-BUTANEDIOL, 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, ...
著者Ferguson, A.
登録日2016-06-20
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
5KJL
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SMYD2 in complex with AZ378
分子名称: N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION
著者Ferguson, A.
登録日2016-06-20
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
7AY9
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BU of 7ay9 by Molmil
Crystal structure of CK2 bound by compound 7
分子名称: 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ...
著者Ferguson, A, Collie, G.W.
登録日2020-11-11
公開日2021-11-24
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics.
To Be Published
7AYA
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BU of 7aya by Molmil
Crystal structure of CK2 bound by compound 9
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Ferguson, A, Collie, G.W.
登録日2020-11-11
公開日2021-11-24
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics.
To Be Published
5KJN
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BU of 5kjn by Molmil
SMYD2 in complex with AZ506
分子名称: (R,R)-2,3-BUTANEDIOL, 5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide, N-lysine methyltransferase SMYD2, ...
著者Ferguson, A.
登録日2016-06-20
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
5KJM
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BU of 5kjm by Molmil
SMYD2 in complex with AZ931
分子名称: 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
著者Ferguson, A.
登録日2016-06-20
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
1KMO
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BU of 1kmo by Molmil
Crystal structure of the Outer Membrane Transporter FecA
分子名称: HEPTANE-1,2,3-TRIOL, Iron(III) dicitrate transport protein fecA, LAURYL DIMETHYLAMINE-N-OXIDE
著者Ferguson, A.D, Chakraborty, R, Smith, B.S, Esser, L, van der Helm, D, Deisenhofer, J.
登録日2001-12-17
公開日2002-03-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of gating by the outer membrane transporter FecA.
Science, 295, 2002
4P90
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BU of 4p90 by Molmil
Crystal structure of the kinase domain of human PAK1 in complex with compound 15
分子名称: Serine/threonine-protein kinase PAK 1, [2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone
著者Ferguson, A.D.
登録日2014-04-01
公開日2014-09-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Identification and optimisation of 7-azaindole PAK1 inhibitors with improved potency and kinase selectivity.
MEDCHEMCOMM, 2014
1KMP
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BU of 1kmp by Molmil
Crystal structure of the Outer Membrane Transporter FecA Complexed with Ferric Citrate
分子名称: CITRIC ACID, FE (III) ION, IRON(III) DICITRATE TRANSPORT PROTEIN FECA, ...
著者Ferguson, A.D, Chakraborty, R, Smith, B.S, Esser, L, van der Helm, D, Deisenhofer, J.
登録日2001-12-17
公開日2002-03-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of gating by the outer membrane transporter FecA.
Science, 295, 2002
3S7F
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BU of 3s7f by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: (R,R)-2,3-BUTANEDIOL, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3S7D
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BU of 3s7d by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: (R,R)-2,3-BUTANEDIOL, Monomethylated p53 peptide, N-lysine methyltransferase SMYD2, ...
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2011-09-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3S7J
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BU of 3s7j by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
5KGK
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BU of 5kgk by Molmil
Crystal structure of PIM1 with inhibitor: 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine
分子名称: 1,2-ETHANEDIOL, 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine, SULFATE ION, ...
著者Ferguson, A.D.
登録日2016-06-13
公開日2017-08-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structure of PIM1 in complex with inhibitor
To Be Published
4P74
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BU of 4p74 by Molmil
PheRS in complex with compound 3a
分子名称: N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P73
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BU of 4p73 by Molmil
PheRS in complex with compound 1a
分子名称: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P75
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PheRS in complex with compound 4a
分子名称: 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P72
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PheRS in complex with compound 2a
分子名称: 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P71
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Apo PheRS from P. aeuriginosa
分子名称: Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014

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