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PDB: 108 件

2GO4
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BU of 2go4 by Molmil
Crystal structure of Aquifex aeolicus LpxC complexed with TU-514
分子名称: 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL, CHLORIDE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W.
登録日2006-04-12
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase
Biochemistry, 45, 2006
5IE1
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Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide
分子名称: 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ...
著者Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T.
登録日2016-02-24
公開日2016-03-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
3DA6
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BU of 3da6 by Molmil
Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
分子名称: Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
著者Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S.
登録日2008-05-28
公開日2009-01-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19, 2009
1IHH
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BU of 1ihh by Molmil
2.4 ANGSTROM CRYSTAL STRUCTURE OF AN OXALIPLATIN 1,2-D(GPG) INTRASTRAND CROSS-LINK IN A DNA DODECAMER DUPLEX
分子名称: 1R,2R-DIAMINOCYCLOHEXANE, 5'-D(*CP*CP*TP*CP*TP*GP*GP*TP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*AP*CP*CP*AP*GP*AP*GP*G)-3', ...
著者Spingler, B, Whittington, D.A, Lippard, S.J.
登録日2001-04-19
公開日2001-10-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献2.4 A crystal structure of an oxaliplatin 1,2-d(GpG) intrastrand cross-link in a DNA dodecamer duplex.
Inorg.Chem., 40, 2001
5T3Q
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BU of 5t3q by Molmil
Crystal structure of the c-Met kinase domain in complex with a pyrazolone inhibitor
分子名称: Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
著者Bellon, S.F, Whittington, D.A, Long, A.M.
登録日2016-08-26
公開日2016-09-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of AMG337: Using structure guided scaffold hydridization to optimize physicochemical properties and target coverage of a MET kinase inhibitor
to be published
3U6I
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Crystal structure of c-Met in complex with pyrazolone inhibitor 58a
分子名称: Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
著者Bellon, S.F, Whittington, D.A, Long, A.L.
登録日2011-10-12
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
3U6H
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Crystal structure of c-Met in complex with pyrazolone inhibitor 26
分子名称: Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
著者Bellon, S.F, Whittington, D.A, Long, A.L.
登録日2011-10-12
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
3I5N
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BU of 3i5n by Molmil
Crystal structure of c-Met with triazolopyridazine inhibitor 13
分子名称: 7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine, Hepatocyte growth factor receptor
著者Bellon, S.F, Whittington, D.A, Long, A.M, Boezio, A.A.
登録日2009-07-06
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors
Bioorg.Med.Chem.Lett., 19, 2009

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