2GO4
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![BU of 2go4 by Molmil](/molmil-images/mine/2go4) | 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
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6UD2
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![BU of 6ud2 by Molmil](/molmil-images/mine/6ud2) | co-crystal structure of compound 1 bound to human Mcl-1 | 分子名称: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Huang, X, Whittington, D. | 登録日 | 2019-09-18 | 公開日 | 2019-12-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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6UDI
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![BU of 6udi by Molmil](/molmil-images/mine/6udi) | X-ray co-crystal structure of compound 20 with Mcl-1 | 分子名称: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Huang, X, Whittington, D. | 登録日 | 2019-09-19 | 公開日 | 2019-12-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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6UDT
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![BU of 6udt by Molmil](/molmil-images/mine/6udt) | X-ray co-crystal structure of compound 10 bound to human Mcl-1 | 分子名称: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Huang, X, Whittington, D. | 登録日 | 2019-09-19 | 公開日 | 2019-12-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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6UDU
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![BU of 6udu by Molmil](/molmil-images/mine/6udu) | X-ray co-crystal structure of compound 8 bound to human Mcl-1 | 分子名称: | (4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Huang, X, Whittington, D. | 登録日 | 2019-09-19 | 公開日 | 2019-12-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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6UDV
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![BU of 6udv by Molmil](/molmil-images/mine/6udv) | X-ray co-crystal structure of compound 3 bound to human Mcl-1 | 分子名称: | (4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Huang, X, Whittington, D. | 登録日 | 2019-09-19 | 公開日 | 2019-12-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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1IHH
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![BU of 1ihh by Molmil](/molmil-images/mine/1ihh) | 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
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3EFW
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![BU of 3efw by Molmil](/molmil-images/mine/3efw) | Structure of AuroraA with pyridyl-pyrimidine urea inhibitor | 分子名称: | 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION, Serine/threonine-protein kinase 6 | 著者 | Bellon, S.F, Cee, V, Hughes, P, Geuns-Meyer, S, Whittington, D. | 登録日 | 2008-09-10 | 公開日 | 2008-12-23 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.29 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
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2O3Z
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![BU of 2o3z by Molmil](/molmil-images/mine/2o3z) | X-ray crystal structure of LpxC complexed with 3-heptyloxybenzoate | 分子名称: | 3-(heptyloxy)benzoic acid, CHLORIDE ION, SULFATE ION, ... | 著者 | Gennadios, H.A, Whittington, D.A, Christianson, D.W. | 登録日 | 2006-12-02 | 公開日 | 2007-02-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Amphipathic benzoic acid derivatives: synthesis and binding in the hydrophobic tunnel of the zinc deacetylase LpxC. Bioorg.Med.Chem., 15, 2007
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3DA6
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![BU of 3da6 by Molmil](/molmil-images/mine/3da6) | 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
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3I5N
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![BU of 3i5n by Molmil](/molmil-images/mine/3i5n) | 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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5T3Q
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![BU of 5t3q by Molmil](/molmil-images/mine/5t3q) | |
3EFK
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![BU of 3efk by Molmil](/molmil-images/mine/3efk) | Structure of c-Met with pyrimidone inhibitor 50 | 分子名称: | 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | 著者 | Bellon, S.F, D'Angelo, N, Whittington, D, Dussault, I. | 登録日 | 2008-09-09 | 公開日 | 2008-10-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Design, synthesis, and biological evaluation of potent c-Met inhibitors. J.Med.Chem., 51, 2008
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3EFJ
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![BU of 3efj by Molmil](/molmil-images/mine/3efj) | Structure of c-Met with pyrimidone inhibitor 7 | 分子名称: | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | 著者 | D'Angelo, N, Bellon, S, Whittington, D. | 登録日 | 2008-09-09 | 公開日 | 2008-10-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Design, synthesis, and biological evaluation of potent c-Met inhibitors. J.Med.Chem., 51, 2008
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3U6I
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3U6H
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![BU of 3u6h by Molmil](/molmil-images/mine/3u6h) | 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
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3EFL
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![BU of 3efl by Molmil](/molmil-images/mine/3efl) | Crystal structure of the VEGFR2 kinase domain in complex with motesanib | 分子名称: | N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide, Vascular endothelial growth factor receptor 2 | 著者 | Kim, J.L, Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | 登録日 | 2008-09-09 | 公開日 | 2009-09-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of Motesanib To be Published
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