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8W1L
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BU of 8w1l by Molmil
Structure of CSF1R kinase domain in complex with Cpd 32
分子名称: GLYCEROL, Macrophage colony-stimulating factor 1 receptor,CSF1R, SULFATE ION, ...
著者Kothe, M, Chodaparambil, J.
登録日2024-02-16
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Identification of Selective Imidazopyridine CSF1R Inhibitors.
Acs Med.Chem.Lett., 15, 2024
2RKU
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BU of 2rku by Molmil
Structure of PLK1 in complex with BI2536
分子名称: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, D(-)-TARTARIC ACID, L(+)-TARTARIC ACID, ...
著者Ding, Y.-H, Kothe, M, Kohls, D, Low, S.
登録日2007-10-17
公開日2008-02-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Selectivity-determining residues in Plk1.
Chem.Biol.Drug Des., 70, 2007
2OU7
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BU of 2ou7 by Molmil
Structure of the Catalytic Domain of Human Polo-like Kinase 1
分子名称: ACETATE ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Ding, Y.-H, Kothe, M, Kohls, D, Low, S.
登録日2007-02-09
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the catalytic domain of human polo-like kinase 1.
Biochemistry, 46, 2007
2OWB
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BU of 2owb by Molmil
Structure of the Catalytic Domain of Human Polo-like Kinase 1
分子名称: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
著者Ding, Y.-H, Kothe, M, Kohls, D, Low, S.
登録日2007-02-15
公開日2007-04-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the catalytic domain of human polo-like kinase 1.
Biochemistry, 46, 2007
6WBS
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BU of 6wbs by Molmil
Human CFTR first nucleotide binding domain with dF508/V510D
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D.
登録日2020-03-27
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.857 Å)
主引用文献Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect
To Be Published
3DV3
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BU of 3dv3 by Molmil
MEK1 with PF-04622664 Bound
分子名称: 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Kazmirski, S.L, Kothe, M, Ding, Y.-H.
登録日2008-07-18
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
4AT3
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BU of 4at3 by Molmil
CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH CPD5N
分子名称: (5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide, BDNF/NT-3 GROWTH FACTORS RECEPTOR
著者Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
登録日2012-05-03
公開日2012-08-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
4ASZ
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BU of 4asz by Molmil
Crystal structure of apo TrkB kinase domain
分子名称: BDNF/NT-3 GROWTH FACTORS RECEPTOR
著者Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
登録日2012-05-03
公開日2012-08-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
4AT5
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BU of 4at5 by Molmil
CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH GW2580
分子名称: 5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine, BDNF/NT-3 GROWTH FACTORS RECEPTOR, GLYCEROL
著者Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
登録日2012-05-03
公開日2012-08-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
4AT4
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BU of 4at4 by Molmil
CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH EX429
分子名称: 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, BDNF/NT-3 GROWTH FACTORS RECEPTOR
著者Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
登録日2012-05-03
公開日2012-08-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
6WXJ
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BU of 6wxj by Molmil
CSF1R signaling is a regulator of pathogenesis in progressive MS
分子名称: 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine, Macrophage colony-stimulating factor 1 receptor
著者Liu, J.
登録日2020-05-10
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献CSF1R signaling is a regulator of pathogenesis in progressive MS.
Cell Death Dis, 11, 2020
6V9C
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BU of 6v9c by Molmil
Crystal structure of FGFR4 kinase domain in complex with covalent inhibitor
分子名称: Fibroblast growth factor receptor 4, N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide, SULFATE ION
著者Liu, J, Liu, H.
登録日2019-12-13
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Selective, Covalent FGFR4 Inhibitors with Antitumor Activity in Models of Hepatocellular Carcinoma.
Acs Med.Chem.Lett., 11, 2020
3DY7
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BU of 3dy7 by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
分子名称: (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Ohren, J.F, Pavlovsky, A, Zhang, E.
登録日2008-07-25
公開日2009-06-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
7SO7
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BU of 7so7 by Molmil
Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B
分子名称: FAB B1 LC, Fab B1 HC, Toxin B
著者Liu, J.
登録日2021-10-29
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B.
Curr Res Struct Biol, 4, 2022
7SO5
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BU of 7so5 by Molmil
Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B
分子名称: Fab B2 HC, Fab B2 LC, Toxin B
著者Liu, J.
登録日2021-10-29
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B.
Curr Res Struct Biol, 4, 2022
4F0I
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BU of 4f0i by Molmil
Crystal structure of apo TrkA
分子名称: High affinity nerve growth factor receptor
著者Liu, J.
登録日2012-05-04
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献The Crystal Structures of TrkA and TrkB Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
1Z1L
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BU of 1z1l by Molmil
The Crystal Structure of the Phosphodiesterase 2A Catalytic Domain
分子名称: MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ...
著者Ding, Y.H, Kohls, D, Low, C.
登録日2005-03-04
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Determinants for Inhibitor Specificity and Selectivity in PDE2A Using the Wheat Germ in Vitro Translation System.
Biochemistry, 44, 2005

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