4WQJ
 
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4X2F
 | | Selection of fragments for kinase inhibitor design: decoration is key | | 分子名称: | 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | 登録日 | 2014-11-26 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4X2N
 | | Selection of fragments for kinase inhibitor design: decoration is key | | 分子名称: | SULFATE ION, TGF-beta receptor type-1 | | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | 登録日 | 2014-11-26 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4X3F
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4WYB
 | | Structure of the Bud6 flank domain in complex with actin | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | 著者 | Eck, M.J, Park, E, Zheng, W. | | 登録日 | 2014-11-17 | | 公開日 | 2015-08-19 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.493 Å) | | 主引用文献 | Structure of a Bud6/Actin Complex Reveals a Novel WH2-like Actin Monomer Recruitment Motif.
Structure, 23, 2015
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4X7I
 | | Crystal Structure of BACE with amino thiazine inhibitor LY2886721 | | 分子名称: | Beta-secretase 1, GLYCEROL, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | | 著者 | Timm, D.E. | | 登録日 | 2014-12-09 | | 公開日 | 2014-12-24 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans.
J.Neurosci., 35, 2015
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4X7O
 | | Co-crystal Structure of PERK bound to 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone inhibitor | | 分子名称: | 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3 | | 著者 | Shaffer, P.L, Long, A.M, Chen, H. | | 登録日 | 2014-12-09 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
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4WUX
 | | Crystal Structure of Surfactant Protein-A DED Mutant (E171D/P175E/K203D) Complexed with Mannose | | 分子名称: | CALCIUM ION, Pulmonary surfactant-associated protein A, alpha-D-mannopyranose | | 著者 | Rynkiewicz, M.J, Wu, H, Cafarella, T.R, Nikolaidis, N.M, Head, J.F, Seaton, B.A, McCormack, F.X. | | 登録日 | 2014-11-03 | | 公開日 | 2016-02-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
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4WVP
 | | Crystal structure of an activity-based probe HNE complex | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BTN-3V3-NLB-OMT-OIC-3V2, ... | | 著者 | Lechtenberg, B.C, Kasperkiewicz, P, Robinson, H.R, Drag, M, Riedl, S.J. | | 登録日 | 2014-11-06 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | The Elastase-PK101 Structure: Mechanism of an Ultrasensitive Activity-based Probe Revealed.
Acs Chem.Biol., 10, 2015
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4WYP
 | | The crystal structure of the A109G mutant of RNase A in complex with 5'AMP | | 分子名称: | ADENOSINE MONOPHOSPHATE, Ribonuclease pancreatic | | 著者 | French, R.L, Gagne, D, Doucet, N, Simonovic, M. | | 登録日 | 2014-11-17 | | 公開日 | 2015-11-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.502 Å) | | 主引用文献 | Perturbation of the Conformational Dynamics of an Active-Site Loop Alters Enzyme Activity.
Structure, 23, 2015
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4X08
 | | Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms. | | 分子名称: | Eosinophil cationic protein, SULFATE ION | | 著者 | Blanco, J.A, Garcia, J.M, Salazar, V.A, Sanchez, D, Moussauoi, M, Boix, E. | | 登録日 | 2014-11-21 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms.
To Be Published
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4WYZ
 | | The crystal structure of the A109G mutant of RNase A in complex with 3'UMP | | 分子名称: | 3'-URIDINEMONOPHOSPHATE, Ribonuclease pancreatic | | 著者 | French, R.L, Gagne, D, Doucet, N, Simonovic, M. | | 登録日 | 2014-11-18 | | 公開日 | 2015-11-18 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.449 Å) | | 主引用文献 | Perturbation of the Conformational Dynamics of an Active-Site Loop Alters Enzyme Activity.
Structure, 23, 2015
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4X1S
 | | The crystal structure of mupain-1-16-D9A in complex with murinised human uPA at pH7.4 | | 分子名称: | Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide | | 著者 | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | | 登録日 | 2014-11-25 | | 公開日 | 2015-10-28 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
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4X2J
 | | Selection of fragments for kinase inhibitor design: decoration is key | | 分子名称: | 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | 登録日 | 2014-11-26 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4WXT
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4WYN
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4X2G
 | | Selection of fragments for kinase inhibitor design: decoration is key | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, ... | | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | 登録日 | 2014-11-26 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4X30
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4X43
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1VJY
 | | Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor | | 分子名称: | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE, TGF-beta receptor type I | | 著者 | Gellibert, F, Woolven, J, Fouchet, M.-H, Mathews, N, Goodland, H, Lovegrove, V, Laroze, A, Nguyen, V.-L, Sautet, S, Wang, R, Janson, C, Smith, W, Krysa, G, Boullay, V, de Gouville, A.-C, Huet, S, Hartley, D. | | 登録日 | 2004-04-07 | | 公開日 | 2004-08-31 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification of 1,5-Naphthyridine Derivatives as a Novel Series of Potent and Selective TGF-beta Type I Receptor Inhibitors.
J.Med.Chem., 47, 2004
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1VLZ
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1VMC
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1VEB
 | | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5 | | 分子名称: | (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | 著者 | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | | 登録日 | 2004-03-29 | | 公開日 | 2005-03-29 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
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1W82
 | | p38 Kinase crystal structure in complex with small molecule inhibitor | | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA | | 著者 | Tickle, J, Jhoti, H, Cleasby, A, Devine, L. | | 登録日 | 2004-09-16 | | 公開日 | 2005-02-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation
J.Med.Chem., 48, 2005
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1VND
 | | VND/NK-2 PROTEIN (HOMEODOMAIN), NMR | | 分子名称: | VND/NK-2 PROTEIN | | 著者 | Tsao, D.H.H, Gruschus, J.M, Wang, L.-H, Nirenberg, M, Ferretti, J.A. | | 登録日 | 1996-05-22 | | 公開日 | 1996-11-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The three-dimensional solution structure of the NK-2 homeodomain from Drosophila.
J.Mol.Biol., 251, 1995
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