1OZ1
 
 | | P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR | | 分子名称: | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14 | | 著者 | Lovejoy, B, Villasenor, A, Browner, M, Dunten, P. | | 登録日 | 2003-04-07 | | 公開日 | 2003-09-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
|
|
1XK4
 | | Crystal structure of human calprotectin(S100A8/S100A9) | | 分子名称: | CALCIUM ION, CHLORIDE ION, CITRATE ANION, ... | | 著者 | Korndoerfer, I.P, Brueckner, F, Skerra, A. | | 登録日 | 2004-09-26 | | 公開日 | 2005-10-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The crystal structure of the human (S100A8/S100A9)2 heterotetramer, calprotectin, illustrates how conformational changes of interacting alpha-helices can determine specific association of two EF-hand proteins
J.Mol.Biol., 370, 2007
|
|
1YWR
 | | Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor | | 分子名称: | 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, Mitogen-activated protein kinase 14 | | 著者 | Golebiowski, A, Townes, J.A, Laufersweiler, M.J, Brugel, T.A, Clark, M.P, Clark, C.M, Djung, J.F, Laughlin, S.K, Sabat, M.P, Bookland, R.G, Vanrens, J.C, De, B, Hsieh, L.C, Janusz, M.J, Walter, R.L, Webster, M.E, Mekel, M.J. | | 登録日 | 2005-02-18 | | 公開日 | 2005-05-10 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The development of monocyclic pyrazolone based cytokine synthesis inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
|
|
1ZZL
 | | Crystal structure of P38 with triazolopyridine | | 分子名称: | 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, Mitogen-activated protein kinase 14 | | 著者 | McClure, K.F, Han, S. | | 登録日 | 2005-06-14 | | 公開日 | 2005-09-13 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase.
J.Med.Chem., 48, 2005
|
|
1ZYJ
 | |
8BZP
 | | JNK3 (Mitogen-activated protein kinase 10) in Complex with Compound 23 bearing a C(sp3)F2Br moiety | | 分子名称: | 1,2-ETHANEDIOL, 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide, BETA-MERCAPTOETHANOL, ... | | 著者 | Stahlecker, J, Vaas, S, Stehle, T, Boeckler, F.M. | | 登録日 | 2022-12-15 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Principles and Applications of CF 2 X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery.
J.Med.Chem., 66, 2023
|
|
2YSZ
 | | Solution structure of the chimera of the C-terminal PID domain of Fe65L and the C-terminal tail peptide of APP | | 分子名称: | Amyloid beta A4 precursor protein-binding family B member 2 and Amyloid beta A4 protein | | 著者 | Li, H, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2007-04-05 | | 公開日 | 2008-04-08 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
|
|
8ENJ
 | |
5M35
 | |
2YT0
 | | Solution structure of the chimera of the C-terminal tail peptide of APP and the C-terminal PID domain of Fe65L | | 分子名称: | Amyloid beta A4 protein and Amyloid beta A4 precursor protein-binding family B member 2 | | 著者 | Li, H, Koshiba, S, Tochio, N, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2007-04-05 | | 公開日 | 2008-04-08 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
|
|
5M36
 | | The molecular tweezer CLR01 stabilizes a disordered protein-protein interface | | 分子名称: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein zeta/delta, BENZOIC ACID, ... | | 著者 | Bier, D, Ottmann, C. | | 登録日 | 2016-10-14 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface.
J. Am. Chem. Soc., 139, 2017
|
|
7YL1
 | |
5M37
 | | The molecular tweezer CLR01 stabilizes a disordered protein-protein interface | | 分子名称: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein zeta/delta, BENZOIC ACID, ... | | 著者 | Bier, D, Ottmann, C. | | 登録日 | 2016-10-14 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface.
J. Am. Chem. Soc., 139, 2017
|
|
5I8N
 | |
2YT1
 | | Solution structure of the chimera of the C-terminal tail peptide of APP and the C-terminal PID domain of Fe65L | | 分子名称: | Amyloid beta A4 protein and Amyloid beta A4 precursor protein-binding family B member 2 | | 著者 | Li, H, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2007-04-05 | | 公開日 | 2008-04-08 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
|
|
3BX5
 | | P38 alpha map kinase complexed with BMS-640994 | | 分子名称: | Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide | | 著者 | Sack, J.S. | | 登録日 | 2008-01-11 | | 公開日 | 2008-04-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
|
|
3C5U
 | |
6DS2
 | | Crystal structure of Ni(II)-bound human calprotectin | | 分子名称: | NICKEL (II) ION, Protein S100-A8, Protein S100-A9, ... | | 著者 | Nolan, E.M, Drennan, C.L, Nakashige, T.G. | | 登録日 | 2018-06-13 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Biophysical Examination of the Calcium-Modulated Nickel-Binding Properties of Human Calprotectin Reveals Conformational Change in the EF-Hand Domains and His3Asp Site.
Biochemistry, 57, 2018
|
|
7UI5
 | | Evolution avoids a pathological stabilizing interaction in the immune protein S100A9 | | 分子名称: | CALCIUM ION, Protein S100-A9 | | 著者 | Reardon, P.N, Harman, J.L, Costello, S.M, Warren, G.D, Phillips, S.R, Connor, P.J, Marqusee, S, Harms, M.J. | | 登録日 | 2022-03-28 | | 公開日 | 2022-10-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Evolution avoids a pathological stabilizing interaction in the immune protein S100A9.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
6EKD
 | | Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ... | | 著者 | Macedo, J.T, Stehle, T, Blaum, B.S. | | 登録日 | 2017-09-26 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
|
|
6EQ9
 | | Crystal structure of JNK3 in complex with AMP-PCP | | 分子名称: | BETA-MERCAPTOETHANOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Macedo, J.T, Stehle, T, Blaum, B.S. | | 登録日 | 2017-10-12 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
|
|
6EMH
 | | Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ... | | 著者 | Macedo, J.T, Stehle, T, Blaum, B.S. | | 登録日 | 2017-10-02 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
|
|
4KKH
 | | The crystal structure of inhibitor-bound JNK3 | | 分子名称: | Mitogen-activated protein kinase 10, cyclopropyl[(3R)-3-({4-[6-hydroxy-2-(naphthalen-2-yl)-1H-benzimidazol-1-yl]pyrimidin-2-yl}amino)piperidin-1-yl]methanone | | 著者 | Han, B.G, Shim, M.B, Ahn, H.C. | | 登録日 | 2013-05-06 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The crystal structure of AMP, apo, and inhibitor-bound JNK3
To be Published
|
|
6OHD
 | | P38 in complex with T-3220137 | | 分子名称: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14 | | 著者 | Lane, W, Saikatendu, K. | | 登録日 | 2019-04-05 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2.
Chemmedchem, 14, 2019
|
|
4KIP
 | |
