6FNK
| Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712 | 分子名称: | 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-B receptor 4 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-02-04 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.049 Å) | 主引用文献 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6HES
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT050 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-08-20 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.128 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6HEX
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATMM006 | 分子名称: | 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-08-20 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.413 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6HEW
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT069 | 分子名称: | 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-08-20 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.268 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6HL1
| Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA | 分子名称: | Bile acid receptor, CHENODEOXYCHOLIC ACID, NCoA-2 peptide (Nuclear receptor coactivator 2), ... | 著者 | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | 登録日 | 2018-09-10 | 公開日 | 2019-05-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Molecular tuning of farnesoid X receptor partial agonism. Nat Commun, 10, 2019
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6HET
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT055 | 分子名称: | Ephrin type-A receptor 2, ~{N}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-08-20 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.208 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6HEY
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATNK002 | 分子名称: | 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-08-20 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.367 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6HEU
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT058 | 分子名称: | 3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-08-20 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.719 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6HL0
| Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide | 分子名称: | Bile acid receptor, NCoA-2 peptide (Nuclear receptor coactivator 2), LYS-GLU-ASN-ALA-LEU-LEU-ARG-TYR-LEU-LEU-ASP-LYS-ASP | 著者 | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | 登録日 | 2018-09-10 | 公開日 | 2019-05-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Molecular tuning of farnesoid X receptor partial agonism. Nat Commun, 10, 2019
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6HEV
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT061 | 分子名称: | 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-08-20 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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2JQ7
| Model for thiostrepton binding to the ribosomal L11-RNA | 分子名称: | 50S RIBOSOMAL PROTEIN L11, RIBOSOMAL RNA, THIOSTREPTON | 著者 | Jonker, H.R.A, Ilin, S, Grimm, S.K, Woehnert, J, Schwalbe, H. | 登録日 | 2007-05-30 | 公開日 | 2007-07-03 | 最終更新日 | 2021-08-18 | 実験手法 | SOLUTION NMR | 主引用文献 | L11 Domain Rearrangement Upon Binding to RNA and Thiostrepton Studied by NMR Spectroscopy Nucleic Acids Res., 35, 2007
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2KER
| alpha-amylase inhibitor Parvulustat (Z-2685) from Streptomyces parvulus | 分子名称: | Alpha-amylase inhibitor Z-2685 | 著者 | Rehm, S, Han, S, Hassani, I, Sokocevic, A, Jonker, H.R.A, Engels, J.W, Schwalbe, H. | 登録日 | 2009-02-02 | 公開日 | 2009-02-17 | 最終更新日 | 2022-03-16 | 実験手法 | SOLUTION NMR | 主引用文献 | 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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2K5B
| Human CDC37-HSP90 docking model based on NMR | 分子名称: | Heat shock protein HSP 90-alpha, Hsp90 co-chaperone Cdc37 | 著者 | Sreeramulu, S, Jonker, H.R.A, Lancaster, C.R, Richter, C, Langer, T, Schwalbe, H. | 登録日 | 2008-06-26 | 公開日 | 2008-12-09 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | 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 | 分子名称: | Pyrimidinylpeptide, RNA (28-MER) | 著者 | Ferner, J, Suhartono, M, Breitung, S, Jonker, H.R.A, Hennig, M, Woehnert, J, Goebel, M, Schwalbe, H. | 登録日 | 2009-07-30 | 公開日 | 2009-08-18 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structures of HIV TAR RNA-ligand complexes reveal higher binding stoichiometries. Chembiochem, 10, 2009
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2KOC
| NMR solution structure of a 14-mer hairpin RNA with cUUCGg tetraloop | 分子名称: | RNA (5'-R(P*GP*GP*CP*AP*CP*UP*UP*CP*GP*GP*UP*GP*CP*C)-3') | 著者 | Nozinovic, S, Fuertig, B, Jonker, H.R.A, Richter, C, Schwalbe, H. | 登録日 | 2009-09-17 | 公開日 | 2009-12-01 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | 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 | 分子名称: | Thiostrepton | 著者 | Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D. | 登録日 | 2010-08-27 | 公開日 | 2011-02-02 | 最終更新日 | 2013-06-26 | 実験手法 | SOLUTION NMR | 主引用文献 | 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 | 分子名称: | Thiostrepton | 著者 | Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D. | 登録日 | 2010-08-27 | 公開日 | 2011-02-02 | 最終更新日 | 2013-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | 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. | 分子名称: | Green-light absorbing proteorhodopsin, RETINAL | 著者 | 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) | 登録日 | 2010-11-29 | 公開日 | 2011-11-09 | 最終更新日 | 2020-02-05 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution NMR structure of proteorhodopsin. Angew.Chem.Int.Ed.Engl., 50, 2011
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2L2Y
| Thiostrepton, epimer form of residue 9 | 分子名称: | Thiostrepton | 著者 | Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D. | 登録日 | 2010-08-27 | 公開日 | 2011-02-02 | 最終更新日 | 2013-06-26 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site. Angew.Chem.Int.Ed.Engl., 50, 2011
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2LHP
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2L2X
| Thiostrepton, oxidized at CA-CB bond of residue 9 | 分子名称: | Thiostrepton | 著者 | Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D. | 登録日 | 2010-08-27 | 公開日 | 2011-02-02 | 最終更新日 | 2013-06-26 | 実験手法 | SOLUTION NMR | 主引用文献 | 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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5MVB
| Solution structure of a human G-Quadruplex hybrid-2 form in complex with a Gold-ligand. | 分子名称: | DNA (26-MER), POTASSIUM ION, bis(m2-Oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii) | 著者 | Wirmer-Bartoschek, J, Jonker, H.R.A, Bendel, L.E, Gruen, T, Bazzicalupi, C, Messori, L, Gratteri, P, Schwalbe, H. | 登録日 | 2017-01-16 | 公開日 | 2017-05-31 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | 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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5NK2
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2b | 分子名称: | 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 | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.649 Å) | 主引用文献 | 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 | 分子名称: | 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 | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.377 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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