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4YZD
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BU of 4yzd by Molmil
Crystal Structure of human phosphorylated IRE1alpha in complex with ADP-Mg
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Concha, N.O.
登録日2015-03-24
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
6P6G
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BU of 6p6g by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-03
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6P6K
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BU of 6p6k by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-04
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6P7Z
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BU of 6p7z by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Bonnette, W.G.
登録日2019-06-06
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6PAF
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BU of 6paf by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: GLYCEROL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-11
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.241 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
1LX6
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BU of 1lx6 by Molmil
Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Benzamide Inhibitor
分子名称: 3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Smith, W.W, Qiu, X, Janson, C.A.
登録日2002-06-04
公開日2002-09-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI).
J.Med.Chem., 45, 2002
3NUY
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BU of 3nuy by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with fragment17
分子名称: GLYCEROL, PkB-like, SULFATE ION, ...
著者Campobasso, N, Ward, P.
登録日2010-07-07
公開日2011-05-25
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3NUU
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BU of 3nuu by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with fragment11
分子名称: 3,4-dihydroisoquinolin-1(2H)-one, GLYCEROL, PkB-like, ...
著者Campobasso, N, Ward, P.
登録日2010-07-07
公開日2011-05-25
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (1.9803 Å)
主引用文献Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3NUN
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BU of 3nun by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with lead compound
分子名称: 6-(2-aminopyrimidin-4-yl)-1H-indazol-3-amine, GLYCEROL, PkB-like, ...
著者Campobasso, N, Ward, P.
登録日2010-07-07
公開日2011-06-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery
TO BE PUBLISHED
3NUS
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BU of 3nus by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with fragment8
分子名称: 1H-indazol-3-amine, GLYCEROL, SULFATE ION, ...
著者Campobasso, N, Ward, P.
登録日2010-07-07
公開日2011-05-25
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
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