PDB: 957 件ウェブページステータス検索Chemie searchBIRD

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4KIN	Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 5-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-2-THIOPHENECARBOXAMIDE 分子名称: 5-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide, Mitogen-activated protein kinase 14 著者 Sack, J.S, Tokarski, J.S. 登録日 2013-05-02 公開日 2013-06-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode Bioorg.Med.Chem.Lett., 23, 2013
4KKE	The crystal structure of AMP-bound JNK3 分子名称: ADENOSINE MONOPHOSPHATE, Mitogen-activated protein kinase 10 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 (2.2 Å) 主引用文献 The crystal structure of AMP-bound JNK3 To be Published
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
2O2U	Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide 分子名称: Mitogen-activated protein kinase 10, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide 著者 Somers, D, Rowland, P. 登録日 2006-11-30 公開日 2007-02-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3. Bioorg.Med.Chem.Lett., 17, 2007
2PUU	Crystal structure of p38 complex with 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)naphthalen-1-yl]urea 分子名称: 5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}-1H-PYRAZOL-2-IUM, Mitogen-activated protein kinase 14 著者 Qian, K.C. 登録日 2007-05-09 公開日 2008-05-20 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A new class of p38 MAP kinase inhibitors based on the pyrazole-naphthyl urea scaffold To be Published
4KA3	Structure of MAP kinase in complex with a docking peptide 分子名称: Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 著者 Xin, F.J, Wu, J.W. 登録日 2013-04-22 公開日 2013-06-26 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.707 Å) 主引用文献 Crystal structure of the p38 alpha MAP kinase in complex with a docking peptide from TAB1 Sci China Life Sci, 56, 2013
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
2OK1	Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide 分子名称: Mitogen-activated protein kinase 10, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE 著者 Xie, X, Jacobs, M.D. 登録日 2007-01-15 公開日 2007-02-06 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors. J.Med.Chem., 50, 2007
4KKG	Crystal structure of apo and AMP-bound JNK3 分子名称: Mitogen-activated protein kinase 10 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 (2.4 Å) 主引用文献 crystal structure of apo and AMP-bound JNK3 To be Published
5M35	The molecular tweezer CLR01 stabilizes a disordered protein-protein interface 分子名称: 14-3-3 protein zeta/delta, BENZOIC ACID, GLYCEROL, ... 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 (2.38 Å) 主引用文献 The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface. J. Am. Chem. Soc., 139, 2017
3UVP	Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone 分子名称: Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside 著者 Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. 登録日 2011-11-30 公開日 2012-11-07 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors. J.Med.Chem., 55, 2012
3UVR	Human p38 MAP Kinase in Complex with KM064 分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D. 登録日 2011-11-30 公開日 2012-12-19 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献
6TCA	Phosphorylated p38 and MAPKAPK2 complex with inhibitor 分子名称: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide 著者 Sok, P, Remenyi, A. 登録日 2019-11-05 公開日 2020-07-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.7 Å) 主引用文献 MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases. Structure, 28, 2020
4LOP	Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form) 分子名称: 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, L(+)-TARTARIC ACID, ... 著者 Chaikuad, A, DeNicola, G.F, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2013-07-13 公開日 2013-08-21 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.049 Å) 主引用文献 Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1. Nat.Struct.Mol.Biol., 20, 2013
3UVQ	Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative 分子名称: Mitogen-activated protein kinase 14, N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide, octyl beta-D-glucopyranoside 著者 Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. 登録日 2011-11-30 公開日 2012-12-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity. J.Med.Chem., 56, 2013
3V6R	Discovery of potent and selective covalent inhibitors of JNK 分子名称: 4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10 著者 Park, H, LoGrasso, P.V, Laughlin, J.D. 登録日 2011-12-20 公開日 2012-02-01 最終更新日 2012-07-25 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery of potent and selective covalent inhibitors of JNK. Chem.Biol., 19, 2012
5N67	Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9l 分子名称: 1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone, Mitogen-activated protein kinase 14 著者 Buehrmann, M, Mueller, M.P, Rauh, D. 登録日 2017-02-14 公開日 2017-09-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
5N68	Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9m 分子名称: 2-(4-morpholin-4-ylphenyl)-~{N}4-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 著者 Buehrmann, M, Mueller, M.P, Rauh, D. 登録日 2017-02-14 公開日 2017-09-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
5N63	Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9c 分子名称: Mitogen-activated protein kinase 14, ~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine 著者 Buehrmann, M, Mueller, M.P, Rauh, D. 登録日 2017-02-14 公開日 2017-09-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
5W1F	Crystal structure of Ni(II)- and Ca(II)-bound human calprotectin 分子名称: CALCIUM ION, NICKEL (II) ION, Protein S100-A8, ... 著者 Nakashige, T.G, Drennan, C.L, Nolan, E.M. 登録日 2017-06-03 公開日 2017-06-14 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Nickel Sequestration by the Host-Defense Protein Human Calprotectin. J. Am. Chem. Soc., 139, 2017
2P33	Synthesis and SAR of Aminopyrimidines as Novel c-Jun N-Terminal Kinase (JNK) Inhibitors 分子名称: 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide, c-Jun N-terminal kinase 3 著者 Ceska, T.A, Platt, A, Fortunato, M, Dickson, K.M, Sharpe, A. 登録日 2007-03-08 公開日 2007-06-19 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Synthesis and SAR of aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors Bioorg.Med.Chem.Lett., 17, 2007
2QD9	P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds 分子名称: 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione, Mitogen-activated protein kinase 14 著者 Sack, J.S. 登録日 2007-06-20 公開日 2007-08-21 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Synthesis and SAR of p38alpha MAP kinase inhibitors based on heterobicyclic scaffolds. Bioorg.Med.Chem.Lett., 17, 2007
4WHZ	Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives 分子名称: 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-pyrrolidin-3-yl]-1H-pyrazol-4-yl}benzamide, Mitogen-activated protein kinase 10 著者 Park, H, LoGrasso, P. 登録日 2014-09-24 公開日 2014-11-26 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives. J.Med.Chem., 57, 2014
4X21	The MAP kinase JNK3 as target for halogen bonding 分子名称: CHLORIDE ION, Mitogen-activated protein kinase 10, N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide 著者 Lange, A, Buettner, F.M, Guenther, M.B, Zimmermann, M.O, Hennig, S, Laufer, S.A, Stehle, T, Boeckler, F. 登録日 2014-11-25 公開日 2015-11-11 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond. J.Am.Chem.Soc., 137, 2015
4XKH	CRYSTAL STRUCTURE OF THE AIRAPL TANDEM UIMS IN COMPLEX WITH A LYS48-LINKED TRI-UBIQUITIN 分子名称: AN1-type zinc finger protein 2B, Polyubiquitin-C 著者 Rahighi, S, Kawasaki, M, Stanhill, A, Wakatsuki, S. 登録日 2015-01-11 公開日 2016-02-17 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Selective Binding of AIRAPL Tandem UIMs to Lys48-Linked Tri-Ubiquitin Chains. Structure, 24, 2016

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