5NK1
 
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1k | | Descriptor: | 2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2017-03-31 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.548 Å) | | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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5NK6
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2d | | Descriptor: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2017-03-31 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.267 Å) | | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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5NK2
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2b | | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2017-03-31 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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5NKA
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2g | | Descriptor: | 1,2-ETHANEDIOL, 4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2017-03-31 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.377 Å) | | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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5MVB
 | | Solution structure of a human G-Quadruplex hybrid-2 form in complex with a Gold-ligand. | | Descriptor: | DNA (26-MER), POTASSIUM ION, bis(m2-Oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii) | | Authors: | Wirmer-Bartoschek, J, Jonker, H.R.A, Bendel, L.E, Gruen, T, Bazzicalupi, C, Messori, L, Gratteri, P, Schwalbe, H. | | Deposit date: | 2017-01-16 | | Release date: | 2017-05-31 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of a Ligand/Hybrid-2-G-Quadruplex Complex Reveals Rearrangements that Affect Ligand Binding.
Angew. Chem. Int. Ed. Engl., 56, 2017
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8BM8
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 11 | | Descriptor: | Ephrin type-A receptor 2, ~{N}-(3-cyanophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | Deposit date: | 2022-11-10 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | (placeholder, will be filled after publication)
To Be Published
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2K5B
 | | Human CDC37-HSP90 docking model based on NMR | | Descriptor: | Heat shock protein HSP 90-alpha, Hsp90 co-chaperone Cdc37 | | Authors: | Sreeramulu, S, Jonker, H.R.A, Lancaster, C.R, Richter, C, Langer, T, Schwalbe, H. | | Deposit date: | 2008-06-26 | | Release date: | 2008-12-09 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The human Cdc37.Hsp90 complex studied by heteronuclear NMR spectroscopy
J.Biol.Chem., 284, 2009
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2KMJ
 | | High resolution NMR solution structure of a complex of HIV-2 TAR RNA and a synthetic tripeptide in a 1:2 stoichiometry | | Descriptor: | Pyrimidinylpeptide, RNA (28-MER) | | Authors: | Ferner, J, Suhartono, M, Breitung, S, Jonker, H.R.A, Hennig, M, Woehnert, J, Goebel, M, Schwalbe, H. | | Deposit date: | 2009-07-30 | | Release date: | 2009-08-18 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Structures of HIV TAR RNA-ligand complexes reveal higher binding stoichiometries.
Chembiochem, 10, 2009
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2L2X
 | | Thiostrepton, oxidized at CA-CB bond of residue 9 | | Descriptor: | Thiostrepton | | Authors: | Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D. | | Deposit date: | 2010-08-27 | | Release date: | 2011-02-02 | | Last modified: | 2013-06-26 | | Method: | SOLUTION NMR | | Cite: | NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
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2LUB
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2LUO
 | | NMR solution structure of apo-MptpA | | Descriptor: | LOW MOLECULAR WEIGHT PROTEIN-TYROSINE-PHOSPHATASE A | | Authors: | Stehle, T, Sreeramulu, S, Loehr, F, Richter, C, Saxena, K, Jonker, H.R.A, Schwalbe, H. | | Deposit date: | 2012-06-19 | | Release date: | 2012-08-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Apo-structure of the Low Molecular Weight Protein-tyrosine Phosphatase A (MptpA) from Mycobacterium tuberculosis Allows for Better Target-specific Drug Development.
J.Biol.Chem., 287, 2012
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5X1X
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2N9Q
 | | Photoswitchable G-quadruplex | | Descriptor: | DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3'), POTASSIUM ION | | Authors: | Thevarpadam, J, Bessi, I, Binas, O, Goncalves, D.P.N, Slavov, C, Jonker, H.R.A, Richter, C, Wachtveitl, J, Schwalbe, H, Heckel, A. | | Deposit date: | 2015-12-02 | | Release date: | 2016-02-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Photoresponsive Formation of an Intermolecular Minimal G-Quadruplex Motif.
Angew.Chem.Int.Ed.Engl., 55, 2016
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2MW4
 | | Tetramerization domain of the Ciona intestinalis p53/p73-b transcription factor protein | | Descriptor: | Transcription factor protein | | Authors: | Heering, J.P, Jonker, H.R.A, Loehr, F, Schwalbe, H, Doetsch, V. | | Deposit date: | 2014-10-27 | | Release date: | 2015-10-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural investigations of the p53/p73 homologs from the tunicate species Ciona intestinalis reveal the sequence requirements for the formation of a tetramerization domain.
Protein Sci., 25, 2016
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2JQ7
 | | Model for thiostrepton binding to the ribosomal L11-RNA | | Descriptor: | 50S RIBOSOMAL PROTEIN L11, RIBOSOMAL RNA, THIOSTREPTON | | Authors: | Jonker, H.R.A, Ilin, S, Grimm, S.K, Woehnert, J, Schwalbe, H. | | Deposit date: | 2007-05-30 | | Release date: | 2007-07-03 | | Last modified: | 2021-08-18 | | Method: | SOLUTION NMR | | Cite: | L11 Domain Rearrangement Upon Binding to RNA and Thiostrepton Studied by NMR Spectroscopy
Nucleic Acids Res., 35, 2007
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2KOC
 | | NMR solution structure of a 14-mer hairpin RNA with cUUCGg tetraloop | | Descriptor: | RNA (5'-R(P*GP*GP*CP*AP*CP*UP*UP*CP*GP*GP*UP*GP*CP*C)-3') | | Authors: | Nozinovic, S, Fuertig, B, Jonker, H.R.A, Richter, C, Schwalbe, H. | | Deposit date: | 2009-09-17 | | Release date: | 2009-12-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | High-resolution NMR structure of an RNA model system: the 14-mer cUUCGg tetraloop hairpin RNA
Nucleic Acids Res., 2009
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2L2Z
 | | Thiostrepton, reduced at N-CA bond of residue 14 | | Descriptor: | Thiostrepton | | Authors: | Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D. | | Deposit date: | 2010-08-27 | | Release date: | 2011-02-02 | | Last modified: | 2013-06-26 | | Method: | SOLUTION NMR | | Cite: | NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
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2L2W
 | | Thiostrepton | | Descriptor: | Thiostrepton | | Authors: | Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D. | | Deposit date: | 2010-08-27 | | Release date: | 2011-02-02 | | Last modified: | 2013-05-08 | | Method: | SOLUTION NMR | | Cite: | NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
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2L6X
 | | Solution NMR Structure of Proteorhodopsin. | | Descriptor: | Green-light absorbing proteorhodopsin, RETINAL | | Authors: | Reckel, S, Gottstein, D, Stehle, J, Loehr, F, Takeda, M, Silvers, R, Kainosho, M, Glaubitz, C, Bernhard, F, Schwalbe, H, Guntert, P, Doetsch, V, Membrane Protein Structures by Solution NMR (MPSbyNMR) | | Deposit date: | 2010-11-29 | | Release date: | 2011-11-09 | | Last modified: | 2020-02-05 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of proteorhodopsin.
Angew.Chem.Int.Ed.Engl., 50, 2011
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2LHP
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2L2Y
 | | Thiostrepton, epimer form of residue 9 | | Descriptor: | Thiostrepton | | Authors: | Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D. | | Deposit date: | 2010-08-27 | | Release date: | 2011-02-02 | | Last modified: | 2013-06-26 | | Method: | SOLUTION NMR | | Cite: | NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
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2KER
 | | alpha-amylase inhibitor Parvulustat (Z-2685) from Streptomyces parvulus | | Descriptor: | Alpha-amylase inhibitor Z-2685 | | Authors: | Rehm, S, Han, S, Hassani, I, Sokocevic, A, Jonker, H.R.A, Engels, J.W, Schwalbe, H. | | Deposit date: | 2009-02-02 | | Release date: | 2009-02-17 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | The high resolution NMR structure of parvulustat (Z-2685) from Streptomyces parvulus FH-1641: comparison with tendamistat from Streptomyces tendae 4158
Chembiochem, 10, 2009
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