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PDB: 73 件
5KX8
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BU of 5kx8 by Molmil
Irak4-inhibitor co-structure
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Fischmann, T.O.
登録日2016-07-20
公開日2016-08-17
最終更新日2016-08-24
実験手法X-RAY DIFFRACTION (2.671 Å)
主引用文献Efforts towards the optimization of a bi-aryl class of potent IRAK4 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
4ZTL
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BU of 4ztl by Molmil
Irak4-inhibitor co-structure
分子名称: (1R,2S,3R,5R)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol, Interleukin-1 receptor-associated kinase 4
著者Fischmann, T.O.
登録日2015-05-14
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery and Structure Enabled Synthesis of 2,6-Diaminopyrimidin-4-one IRAK4 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4ZTN
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BU of 4ztn by Molmil
Irak4-inhibitor co-structure
分子名称: 5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3R)-piperidin-3-ylamino]pyrimidin-4(3H)-one, Interleukin-1 receptor-associated kinase 4
著者Fischmann, T.O.
登録日2015-05-14
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Discovery and Structure Enabled Synthesis of 2,6-Diaminopyrimidin-4-one IRAK4 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5KX7
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BU of 5kx7 by Molmil
Irak4-inhibitor co-structure
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
著者Fischmann, T.O.
登録日2016-07-20
公開日2016-08-17
最終更新日2016-08-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Efforts towards the optimization of a bi-aryl class of potent IRAK4 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
4YO6
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BU of 4yo6 by Molmil
Irak4-inhibitor co-structure
分子名称: Interleukin-1 receptor-associated kinase 4, N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Fischmann, T.O.
登録日2015-03-11
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation.
Acs Med.Chem.Lett., 6, 2015
4ZTM
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BU of 4ztm by Molmil
Irak4-inhibitor co-structure
分子名称: 5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3H)-one, Interleukin-1 receptor-associated kinase 4
著者Fischmann, T.O.
登録日2015-05-14
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Discovery and Structure Enabled Synthesis of 2,6-Diaminopyrimidin-4-one IRAK4 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5ENZ
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BU of 5enz by Molmil
S. aureus MnaA-UDP co-structure
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, TETRAETHYLENE GLYCOL, ...
著者Fischmann, T.O.
登録日2015-11-09
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Chemical Genetic Analysis and Functional Characterization of Staphylococcal Wall Teichoic Acid 2-Epimerases Reveals Unconventional Antibiotic Drug Targets.
Plos Pathog., 12, 2016
3EQD
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BU of 3eqd by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ATP-GS and MG2P
分子名称: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Fischmann, T.O.
登録日2008-09-30
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQI
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BU of 3eqi by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ADP and MG2P
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Fischmann, T.O.
登録日2008-09-30
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQG
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BU of 3eqg by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with PD, ADP AND MG2P
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Fischmann, T.O.
登録日2008-09-30
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQC
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BU of 3eqc by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with compound 1, ATP-GS AND MG2P
分子名称: 2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Fischmann, T.O.
登録日2008-09-30
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQF
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BU of 3eqf by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with K252A and MG2P
分子名称: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, K-252A, ...
著者Fischmann, T.O.
登録日2008-09-30
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQH
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BU of 3eqh by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with U0126, ADP and MG2P
分子名称: (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Fischmann, T.O.
登録日2008-09-30
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
2R3G
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BU of 2r3g by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3J
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BU of 2r3j by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3H
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BU of 2r3h by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3L
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BU of 2r3l by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3O
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BU of 2r3o by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3M
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BU of 2r3m by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: Cell division protein kinase 2, N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3F
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BU of 2r3f by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3I
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BU of 2r3i by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3P
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BU of 2r3p by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3K
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BU of 2r3k by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3N
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BU of 2r3n by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
3NOS
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BU of 3nos by Molmil
HUMAN ENDOTHELIAL NITRIC OXIDE SYNTHASE WITH ARGININE SUBSTRATE
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ENDOTHELIAL NITRIC-OXIDE SYNTHASE, N-OMEGA-HYDROXY-L-ARGININE, ...
著者Fischmann, T.O, Weber, P.C.
登録日1999-02-03
公開日2000-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural characterization of nitric oxide synthase isoforms reveals striking active-site conservation.
Nat.Struct.Biol., 6, 1999

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