6WBS
 
 | | Human CFTR first nucleotide binding domain with dF508/V510D | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | Authors: | Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D. | | Deposit date: | 2020-03-27 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.857 Å) | | Cite: | Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect
To Be Published
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3DV3
 | | MEK1 with PF-04622664 Bound | | Descriptor: | 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, ... | | Authors: | Kazmirski, S.L, Kothe, M, Ding, Y.-H. | | Deposit date: | 2008-07-18 | | Release date: | 2009-07-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
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4ASZ
 | | Crystal structure of apo TrkB kinase domain | | Descriptor: | BDNF/NT-3 GROWTH FACTORS RECEPTOR | | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
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4AT4
 | | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH EX429 | | Descriptor: | 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, BDNF/NT-3 GROWTH FACTORS RECEPTOR | | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
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4AT5
 | | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH GW2580 | | Descriptor: | 5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine, BDNF/NT-3 GROWTH FACTORS RECEPTOR, GLYCEROL | | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
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4AT3
 | | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH CPD5N | | Descriptor: | (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 | | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
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2OU7
 | | Structure of the Catalytic Domain of Human Polo-like Kinase 1 | | Descriptor: | ACETATE ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Ding, Y.-H, Kothe, M, Kohls, D, Low, S. | | Deposit date: | 2007-02-09 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the catalytic domain of human polo-like kinase 1.
Biochemistry, 46, 2007
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2OWB
 | | Structure of the Catalytic Domain of Human Polo-like Kinase 1 | | Descriptor: | 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, ... | | Authors: | Ding, Y.-H, Kothe, M, Kohls, D, Low, S. | | Deposit date: | 2007-02-15 | | Release date: | 2007-04-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the catalytic domain of human polo-like kinase 1.
Biochemistry, 46, 2007
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2RKU
 | | Structure of PLK1 in complex with BI2536 | | Descriptor: | 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, ... | | Authors: | Ding, Y.-H, Kothe, M, Kohls, D, Low, S. | | Deposit date: | 2007-10-17 | | Release date: | 2008-02-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Selectivity-determining residues in Plk1.
Chem.Biol.Drug Des., 70, 2007
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