6TNC
| X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 46 | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | Authors: | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6TN9
| X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16 | Descriptor: | Dual specificity protein kinase TTK, [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone | Authors: | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6TND
| X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79 | Descriptor: | BAY 1217389, Dual specificity protein kinase TTK | Authors: | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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2KS1
| Heterodimeric association of Transmembrane domains of ErbB1 and ErbB2 receptors Enabling Kinase Activation | Descriptor: | Epidermal growth factor receptor, Receptor tyrosine-protein kinase erbB-2 | Authors: | Mineev, K.S, Bocharov, E.V, Pustovalova, Y.E, Bocharova, O.V, Chupin, V.V, Arseniev, A.S. | Deposit date: | 2009-12-24 | Release date: | 2010-06-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Spatial Structure of the Transmembrane Domain Heterodimer of ErbB1 and ErbB2 Receptor Tyrosine Kinases J.Mol.Biol., 2010
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2G9P
| NMR structure of a novel antimicrobial peptide, latarcin 2a, from spider (Lachesana tarabaevi) venom | Descriptor: | antimicrobial peptide Latarcin 2a | Authors: | Dubovskii, P.V, Volynsky, P.E, Polyansky, A.A, Chupin, V.V, Efremov, R.G, Arseniev, A.S. | Deposit date: | 2006-03-07 | Release date: | 2006-09-12 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Spatial structure and activity mechanism of a novel spider antimicrobial peptide. Biochemistry, 45, 2006
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2PCO
| Spatial Structure and Membrane Permeabilization for Latarcin-1, a Spider Antimicrobial Peptide | Descriptor: | Latarcin-1 | Authors: | Dubovskii, P.V, Volynsky, P.E, Polyansky, A.A, Chupin, V.V, Efremov, R.G, Arseniev, A.S. | Deposit date: | 2007-03-30 | Release date: | 2008-03-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure/hydrophobicity of latarcins specifies their mode of membrane activity. Biochemistry, 47, 2008
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4HYJ
| Crystal structure of Exiguobacterium sibiricum rhodopsin | Descriptor: | EICOSANE, RETINAL, Rhodopsin | Authors: | Gushchin, I, Chervakov, P, Kuzmichev, P, Popov, A, Round, E, Borshchevskiy, V, Dolgikh, D, Kirpichnikov, M, Petrovskaya, L, Chupin, V, Arseniev, A, Gordeliy, V. | Deposit date: | 2012-11-13 | Release date: | 2013-07-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into the proton pumping by unusual proteorhodopsin from nonmarine bacteria. Proc.Natl.Acad.Sci.USA, 110, 2013
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5MZW
| Crystal structure of the decarboxylase AibA/AibB | Descriptor: | GLYCEROL, Glutaconate CoA-transferase family, subunit A, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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5MZY
| Crystal structure of the decarboxylase AibA/AibB in complex with a possible transition state analog | Descriptor: | (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid, ACETATE ION, GLYCEROL, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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5N00
| Crystal structure of the decarboxylase AibA/AibB C56A variant | Descriptor: | ACETATE ION, Glutaconate CoA-transferase family, subunit A, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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5N03
| Crystal structure of the decarboxylase AibA/AibB C56V variant | Descriptor: | ACETATE ION, Glutaconate CoA-transferase family, subunit A, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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5N02
| Crystal structure of the decarboxylase AibA/AibB C56S variant | Descriptor: | ACETATE ION, Glutaconate CoA-transferase family, subunit A, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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5MZZ
| Crystal structure of the decarboxylase AibA/AibB in complex with 3-methylglutaconate | Descriptor: | 3-methylpent-2-enedioic acid, ACETATE ION, GLYCEROL, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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5N01
| Crystal structure of the decarboxylase AibA/AibB C56N variant | Descriptor: | ACETATE ION, GLYCEROL, Glutaconate CoA-transferase family, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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5MZX
| Crystal structure of the decarboxylase AibA/AibB in complex with 4'-diphospho pantetheine | Descriptor: | 4'-diphospho pantetheine, ACETATE ION, GLYCEROL, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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6QD6
| Molecular scaffolds expand the nanobody toolkit for cryo-EM applications: crystal structure of Mb-cHopQ-Nb207 | Descriptor: | CHLORIDE ION, Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207 | Authors: | Uchanski, T, Masiulis, S, Fischer, B, Kalichuk, V, Wohlkonig, A, Zogg, T, Remaut, H, Vranken, W, Aricescu, A.R, Pardon, E, Steyaert, J. | Deposit date: | 2018-12-31 | Release date: | 2019-12-18 | Last modified: | 2021-01-13 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM Nat.Methods, 18, 2021
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6Z4E
| The structure of the C-terminal domain of RssB from E. coli | Descriptor: | Regulator of RpoS | Authors: | Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D. | Deposit date: | 2020-05-25 | Release date: | 2020-07-29 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP. Biomolecules, 10, 2020
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6QFA
| CryoEM structure of a beta3K279T GABA(A)R homomer in complex with histamine and megabody Mb25 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit beta-3,Gamma-aminobutyric acid receptor subunit beta-3, HISTAMINE, ... | Authors: | Uchanski, T, Masiulis, S, Fischer, B, Kalichuk, V, Wohlkoening, A, Zoegg, T, Remaut, H, Vranken, W, Aricescu, A.R, Pardon, E, Steyaert, J. | Deposit date: | 2019-01-09 | Release date: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM. Nat.Methods, 18, 2021
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1OPO
| THE STRUCTURE OF CARNATION MOTTLE VIRUS | Descriptor: | CALCIUM ION, Coat protein, SULFATE ION | Authors: | Morgunova, E, Dauter, Z, Fry, E, Stuart, D, Stel'mashchuk, V, Mikhailov, A.M, Wilson, K.S, Vainshtein, B.K. | Deposit date: | 2003-03-06 | Release date: | 2003-04-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The atomic structure of Carnation Mottle Virus capsid protein Febs Lett., 338, 1994
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6TNB
| X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41 | Descriptor: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK | Authors: | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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3ORN
| Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP | Descriptor: | 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | Deposit date: | 2010-09-07 | Release date: | 2011-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent. Bioorg.Med.Chem.Lett., 21, 2011
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3OS3
| Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP | Descriptor: | 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | Deposit date: | 2010-09-08 | Release date: | 2011-07-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent. Bioorg.Med.Chem.Lett., 21, 2011
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3WIG
| Human MEK1 kinase in complex with CH5126766 and MgAMP-PNP | Descriptor: | CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Lukacs, C.M, Janson, C, Schuck, V. | Deposit date: | 2013-09-12 | Release date: | 2014-06-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Disruption of CRAF-Mediated MEK Activation Is Required for Effective MEK Inhibition in KRAS Mutant Tumors Cancer Cell, 25, 2014
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