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1MZS
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BU of 1mzs by Molmil
CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III WITH BOUND dichlorobenzyloxy-indole-carboxylic acid inhibitor
分子名称: 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-1H-INDOLE-2-CARBOXYLIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase III, PHOSPHATE ION
著者Daines, R.A, Pendrak, I, Sham, K, Van Aller, G.S, Konstantinidis, A.K, Lonsdale, J.T, Janson, C.A, Qui, X, Brandt, M, Silverman, C, Head, M.S.
登録日2002-10-09
公開日2002-11-13
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献First X-ray cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor achieved using rational design and homology modeling
J.Med.Chem., 46, 2003
5HI7
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BU of 5hi7 by Molmil
Co-crystal structure of human SMYD3 with an aza-SAH compound
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SMYD3, ...
著者Elkins, P.A, Bonnette, W.G.
登録日2016-01-11
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets.
Structure, 24, 2016
5HQ8
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BU of 5hq8 by Molmil
Co-crystal Structure of human SMYD3 with a MEKK2 peptide at 2.13A
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Elkins, P.A, Bonnette, W.G.
登録日2016-01-21
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets.
Structure, 24, 2016
3L54
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BU of 3l54 by Molmil
Structure of Pi3K gamma with inhibitor
分子名称: 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Elkins, P.A, Smallwood, A.M.
登録日2009-12-21
公開日2010-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010
3L08
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BU of 3l08 by Molmil
Structure of Pi3K gamma with a potent inhibitor: GSK2126458
分子名称: 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Elkins, P.A, Marrero, E.M.
登録日2009-12-09
公開日2010-06-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010
4EOX
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BU of 4eox by Molmil
X-ray Structure of Polypeptide Deformylase Bound to a Acylprolinamide inhibitor
分子名称: N-benzoyl-1-[(2R)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-L-prolinamide, NICKEL (II) ION, Peptide deformylase
著者Ward, P, Campobasso, N.
登録日2012-04-16
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献Acylprolinamides: a new class of peptide deformylase inhibitors with in vivo antibacterial activity.
Bioorg.Med.Chem.Lett., 22, 2012
3STR
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BU of 3str by Molmil
Strep Peptide Deformylase with a time dependent thiazolidine hydroxamic acid
分子名称: (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ...
著者Campobasso, N, Ward, P.
登録日2011-07-11
公開日2011-07-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
3SW8
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BU of 3sw8 by Molmil
Strep Peptide Deformylase with a time dependent dichlorobenzamide-reverse hydroxamic acid
分子名称: 2,3-dichloro-N-{2-[formyl(hydroxy)amino]ethyl}benzamide, NICKEL (II) ION, Peptide deformylase 3, ...
著者Campobasso, N, Smith, K.J.
登録日2011-07-13
公開日2011-07-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
3SVJ
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BU of 3svj by Molmil
Strep Peptide Deformylase with a time dependent thiazolidine amide
分子名称: (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ...
著者Campobasso, N, Ward, P.
登録日2011-07-12
公開日2011-07-27
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011

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件を2024-07-24に公開中

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