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3KQ7
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BU of 3kq7 by Molmil
Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
分子名称: ACETATE ION, Mitogen-activated protein kinase p38 alpha, N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide
著者Cheng, R.K.Y, Barker, J, Whittaker, M.
登録日2009-11-17
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
TO BE PUBLISHED
2WEY
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BU of 2wey by Molmil
Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals
分子名称: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE, ...
著者Andersen, O.A, Schonfeld, D.L, Toogood-Johnson, I, Felicetti, B, Albrecht, C, Fryatt, T, Whittaker, M, Hallett, D, Barker, J.
登録日2009-04-02
公開日2009-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cross-Linking of Protein Crystals as an Aid in the Generation of Binary Protein-Ligand Crystal Complexes, Exemplified by the Human Pde10A-Papaverine Structure.
Acta Crystallogr.,Sect.D, 65, 2009
1G27
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BU of 1g27 by Molmil
CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH THE INHIBITOR BB-3497
分子名称: 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE, NICKEL (II) ION, POLYPEPTIDE DEFORMYLASE
著者Clements, J.M, Beckett, P, Brown, A, Catlin, C, Lobell, M, Palan, S, Thomas, W, Whittaker, M, Baker, P.J, Rodgers, H.F, Barynin, V, Rice, D.W, Hunter, M.G.
登録日2000-10-17
公開日2001-10-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
1G2A
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BU of 1g2a by Molmil
THE CRYSTAL STRUCTURE OF E.COLI PEPTIDE DEFORMYLASE COMPLEXED WITH ACTINONIN
分子名称: ACTINONIN, NICKEL (II) ION, POLYPEPTIDE DEFORMYLASE
著者Clements, J.M, Beckett, P, Brown, A, Catlin, C, Lobell, M, Palan, S, Thomas, W, Whittaker, M, Baker, P.J, Rodgers, H.F, Barynin, V, Rice, D.W, Hunter, M.G.
登録日2000-10-18
公開日2001-10-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
3FHR
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BU of 3fhr by Molmil
High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3 (MK3)-inhibitor complex
分子名称: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3
著者Cheng, R.K.Y, Barker, J, Palan, S, Felicetti, B, Whittaker, M, Hesterkamp, T.
登録日2008-12-10
公開日2009-12-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-resolution crystal structure of human Mapkap kinase 3 in complex with a high affinity ligand
Protein Sci., 19, 2010
3FXW
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BU of 3fxw by Molmil
High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3/inhibitor 2 complex
分子名称: 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3
著者Cheng, R.K.Y, Barker, J, Palan, S, Felicetti, B, Whittaker, M, Hesterkamp, T.
登録日2009-01-21
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3/inhibitor 2 complex
To be Published
3I8V
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BU of 3i8v by Molmil
Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone
分子名称: (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one, COBALT (II) ION, GLYCEROL, ...
著者Cheng, R.K.Y, Crawley, L, Barker, J, Wood, M, Felicetti, B, Whittaker, M.
登録日2009-07-10
公開日2009-07-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone
To be Published
3K6L
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BU of 3k6l by Molmil
The structure of E.coli peptide deformylase (PDF) in complex with peptidomimetic ligand BB2827
分子名称: (2S,3R)-N~4~-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, NICKEL (II) ION, Peptide deformylase
著者Cheng, R.K.Y, Crawley, L, Wood, M, Barker, J, Felicetti, B, Whittaker, M.
登録日2009-10-09
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The structure of E.coli peptide deformylase (PDF) in complex with peptidomimetic ligand BB2827
To be Published
3IAK
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BU of 3iak by Molmil
Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine.
分子名称: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, MAGNESIUM ION, ZINC ION, ...
著者Cheng, R.K.Y, Crawley, L, Barker, J, Wood, M, Felicetti, B, Whittaker, M.
登録日2009-07-14
公開日2009-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine.
To be Published
3K4S
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BU of 3k4s by Molmil
The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone
分子名称: (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one, MAGNESIUM ION, ZINC ION, ...
著者Crawley, L, Cheng, R.K.Y, Wood, M, Barker, J, Felicetti, B, Whittaker, M.
登録日2009-10-06
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone
To be Published
3K5E
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BU of 3k5e by Molmil
The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol.
分子名称: (4S,5R)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Crawley, L, Cheng, R.K.Y, Wood, M, Barker, J, Felicetti, B, Whittaker, M.
登録日2009-10-07
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol.
To be Published
3HZ1
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BU of 3hz1 by Molmil
Crystal structure of Hsp90 with fragments 37-D04 and 42-C03
分子名称: Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine, methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate
著者Barker, J, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B, Whittaker, M.
登録日2009-06-23
公開日2010-07-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Hsp90 with fragments 37-D04 and 42-C03
TO BE PUBLISHED
3HYZ
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BU of 3hyz by Molmil
Crystal structure of Hsp90 with fragment 42-C03
分子名称: Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine
著者Barker, J, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B, Whittaker, M.
登録日2009-06-23
公開日2010-07-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Hsp90 with fragment 42-C03
TO BE PUBLISHED
3HZ5
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BU of 3hz5 by Molmil
Crystal structure of Hsp90 with fragment Z064
分子名称: Heat shock protein HSP 90-alpha, N-[4-(5-furan-2-yl-3-methyl-1H-pyrazol-4-yl)butyl]-N-methyl-7H-purin-6-amine
著者Barker, J, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B, Whittaker, M.
登録日2009-06-23
公開日2010-07-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Hsp90 with fragment Z064
to be published
3HYY
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BU of 3hyy by Molmil
Crystal structure of Hsp90 with fragment 37-D04
分子名称: Heat shock protein HSP 90-alpha, methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate
著者Barker, J, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B, Whittaker, M.
登録日2009-06-23
公開日2010-07-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Hsp90 with fragment 37-D04
TO BE PUBLISHED
3KKT
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BU of 3kkt by Molmil
Crystal structure of human PDE4b with 5-[3-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyp henyl]tetrahydro-2(1H)-pyrimidinone reveals ordering of the C-terminal helix residues 502-509.
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one, MAGNESIUM ION, ...
著者Cheng, R.K.Y, Crawley, L, Barker, J, Whittaker, M.
登録日2009-11-06
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal structure of human PDE4b with 5-[3-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyp henyl]tetrahydro-2(1H)-pyrimidinone reveals ordering of the C-terminal helix residues 502-509.
To be Published
3FT8
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BU of 3ft8 by Molmil
Structure of HSP90 bound with a noval fragment.
分子名称: (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime, Heat shock protein HSP 90-alpha
著者Barker, J.B, Cheng, R.K.Y, Palan, S, Felicetti, B.
登録日2009-01-12
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-based identification of Hsp90 inhibitors.
Chemmedchem, 4, 2009
3FT5
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Structure of HSP90 bound with a novel fragment
分子名称: 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine, Heat shock protein HSP 90-alpha
著者Barker, J.B, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B.
登録日2009-01-12
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based Identification of Hsp90 Inhibitors.
Chemmedchem, 4, 2009

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