7R2B
 
 | | PI3Kdelta in complex with an inhibitor | | Descriptor: | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Gutmann, S, Rummel, G, Shrestha, B. | | Deposit date: | 2022-02-04 | | Release date: | 2022-05-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
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7R26
 | | PI3K delta in complex with SD5 | | Descriptor: | 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Gutmann, S, Rummel, G, Shrestha, B. | | Deposit date: | 2022-02-04 | | Release date: | 2022-05-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
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5O83
 | | Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors | | Descriptor: | Leniolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Gutmann, S, Rummel, G, Shrestha, B. | | Deposit date: | 2017-06-12 | | Release date: | 2017-09-20 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors.
ACS Med Chem Lett, 8, 2017
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6S90
 | | BTK in complex with an inhibitor | | Descriptor: | 4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide, Tyrosine-protein kinase BTK | | Authors: | Gutmann, S, Hinniger, A. | | Deposit date: | 2019-07-11 | | Release date: | 2019-09-18 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Design of Potent and Selective Covalent Inhibitors of Bruton's Tyrosine Kinase Targeting an Inactive Conformation.
Acs Med.Chem.Lett., 10, 2019
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5IU2
 | | Discovery of imidazoquinolines as a novel class of potent, selective and in vivo efficacious COT kinase inhibitors | | Descriptor: | Mitogen-activated protein kinase kinase kinase 8, N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine | | Authors: | Gutmann, S, Hinniger, A. | | Deposit date: | 2016-03-17 | | Release date: | 2016-08-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Imidazoquinolines as a Novel Class of Potent, Selective, and in Vivo Efficacious Cancer Osaka Thyroid (COT) Kinase Inhibitors.
J.Med.Chem., 59, 2016
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5IS5
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4ZJJ
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1P6V
 | | Crystal structure of the tRNA domain of transfer-messenger RNA in complex with SmpB | | Descriptor: | 45-MER, SsrA-binding protein | | Authors: | Gutmann, S, Haebel, P.W, Metzinger, L, Sutter, M, Felden, B, Ban, N. | | Deposit date: | 2003-04-30 | | Release date: | 2003-08-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the transfer-RNA domain of transfer-messenger RNA in complex with SmpB
Nature, 424, 2003
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4ZJI
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4Y83
 | | Crystal structure of COT kinase domain in complex with 5-(2-amino-5-(quinolin-3-yl)pyridin-3-yl)-1,3,4-oxadiazole-2(3H)-thione | | Descriptor: | 5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3H)-thione, Mitogen-activated protein kinase kinase kinase 8 | | Authors: | Gutmann, S, Hinniger, A. | | Deposit date: | 2015-02-16 | | Release date: | 2015-05-06 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
J.Biol.Chem., 290, 2015
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4Y85
 | | Crystal structure of COT kinase domain in complex with 5-(5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine | | Descriptor: | 5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine, Mitogen-activated protein kinase kinase kinase 8 | | Authors: | Gutmann, S, Hinniger, A. | | Deposit date: | 2015-02-16 | | Release date: | 2015-05-06 | | Last modified: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
J.Biol.Chem., 290, 2015
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3DKT
 | | Crystal structure of Thermotoga maritima encapsulin | | Descriptor: | Maritimacin, Putative uncharacterized protein | | Authors: | Sutter, M, Boehringer, D, Gutmann, S, Weber-Ban, E, Ban, N. | | Deposit date: | 2008-06-26 | | Release date: | 2008-09-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.104 Å) | | Cite: | Structural basis of enzyme encapsulation into a bacterial nanocompartment
Nat.Struct.Mol.Biol., 15, 2008
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6TFP
 | | BTK in complex with LOU064, a potent and highly selective covalent inhibitor | | Descriptor: | SODIUM ION, Tyrosine-protein kinase BTK, ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide | | Authors: | Scheufler, C, Hinniger, A, Gutmann, S. | | Deposit date: | 2019-11-14 | | Release date: | 2020-03-04 | | Last modified: | 2020-06-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 63, 2020
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2OH7
 | | The Crystal Structure of Cypovirus Polyhedra containing the Human ZIP-kinase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Coulibaly, F, Chiu, E, Ikeda, K, Gutmann, S, Haebel, P.W, Schulze-Briese, C, Mori, H, Metcalf, P. | | Deposit date: | 2007-01-09 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The molecular organization of cypovirus polyhedra.
Nature, 446, 2007
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2OH6
 | | The Crystal Structure of Recombinant Cypovirus Polyhedra | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Coulibaly, F, Chiu, E, Ikeda, K, Gutmann, S, Haebel, P.W, Schulze-Briese, C, Mori, H, Metcalf, P. | | Deposit date: | 2007-01-09 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The molecular organization of cypovirus polyhedra.
Nature, 446, 2007
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2OH5
 | | The Crystal Structure of Infectious Cypovirus Polyhedra | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Coulibaly, F, Chiu, E, Ikeda, K, Gutmann, S, Haebel, P.W, Schulze-Briese, C, Mori, H, Metcalf, P. | | Deposit date: | 2007-01-09 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The molecular organization of cypovirus polyhedra.
Nature, 446, 2007
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