PDB: 4939 件ウェブページステータス検索Chemie searchBIRD

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6BAB	The structure of human CamKII with bound inhibitor 分子名称: Calcium/calmodulin-dependent protein kinase type II subunit delta, L(+)-TARTARIC ACID, N-[(2S)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide 著者 Somoza, J.R, Villasenor, A.G. 登録日 2017-10-12 公開日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 TBD To Be Published
6CPG	Structure of dephosphorylated Aurora A (122-403) in complex with inhibiting monobody and AT9283 in an inactive conformation 分子名称: 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Aurora kinase A, Monobody 著者 Otten, R, Kutter, S, Zorba, A, Padua, R.A.P, Koide, A, Koide, S, Kern, D. 登録日 2018-03-13 公開日 2018-06-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Dynamics of human protein kinase Aurora A linked to drug selectivity. Elife, 7, 2018
6CMJ	Human CAMKK2 with GSK650393 分子名称: 1,2-ETHANEDIOL, 2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, ... 著者 Williams, S.P, Reid, R.A, Price, D.J, Drewry, D.H. 登録日 2018-03-05 公開日 2018-04-04 最終更新日 2018-05-16 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model. Bioorg. Med. Chem. Lett., 28, 2018
6CQD	Crystal structure of HPK1 in complex with ATP analogue (AMPPNP) 分子名称: MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Wu, P, Lehoux, I, Franke, Y, Mortara, K, Wang, W. 登録日 2018-03-14 公開日 2018-12-19 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
6CCF	Crystal Structure of the Human CAMKK1A in complex with Hesperadin 分子名称: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 1, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE, ... 著者 Santiago, A.S, Counago, R.M, dos Reis, C.V, Ramos, P.Z, Silva, P.N.B, Drewry, D, Elkins, J.M, Massirer, K.B, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC) 登録日 2018-02-07 公開日 2018-03-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure of the Human CAMKK1A in complex with Hesperadin To be Published
6C2R	Aurora A ligand complex 分子名称: (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid, Aurora kinase A, SULFATE ION 著者 Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S. 登録日 2018-01-08 公開日 2019-01-23 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene. Cancer Discov, 9, 2019
6C0T	Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain bound with N46 分子名称: DIMETHYL SULFOXIDE, N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide, TRIETHYLENE GLYCOL, ... 著者 Qin, L, Sankaran, B, Kim, C. 登録日 2018-01-02 公開日 2018-05-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Structural basis for selective inhibition of human PKG I alpha by the balanol-like compound N46. J. Biol. Chem., 293, 2018
6CNX	Crystal Structure of the Human vaccinia-related kinase 1 (VRK1) bound to an N-propynyl-N-isopentyl-dihydropteridin inhibitor 分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, ... 著者 Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) 登録日 2018-03-09 公開日 2018-04-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of the Human Vaccinia-Related Kinase 1 (VRK1) bound to a N-propynyl-N-isopentil-dihydropteridine inhibitor To Be Published
6CQE	Crystal structure of HPK1 kinase domain S171A mutant 分子名称: Mitogen-activated protein kinase kinase kinase kinase 1 著者 Wu, P, Lehoux, I, Mortara, K, Franke, Y, Wang, W. 登録日 2018-03-15 公開日 2018-12-19 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.886 Å) 主引用文献 Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
6CJE	Crystal Structure of Mnk2-D228G in complex with Inhibitor 分子名称: 4-[(9H-purin-6-yl)amino]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION 著者 Han, Q. 登録日 2018-02-26 公開日 2018-05-09 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.36 Å) 主引用文献 Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
6CN9	Crystal structure of the Kinase domain of WNK1 分子名称: GLYCEROL, SULFATE ION, Serine/threonine-protein kinase WNK1 著者 Akella, R, Goldsmith, E.J. 登録日 2018-03-07 公開日 2019-03-27 最終更新日 2019-12-25 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of the kinase domain of WNK1, a kinase that causes a hereditary form of hypertension. Structure, 12, 2004
6CNH	Human PRPF4B in complex with Rebastinib 分子名称: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog 著者 Godoi, P.H.C, Santiago, A.S, Ramos, P.Z, Fala, A.M, Salmazo, A.P.T, Counago, R.M, Righetto, G.L, Silva, P.N.B, Gileadi, O, Guimaraes, C.R.W, Massirer, K.B, Arruda, P, Elkins, J.M, Edwards, A.M, Structural Genomics Consortium (SGC) 登録日 2018-03-08 公開日 2018-03-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of the human PRPF4B in complex with Rebastinib To be Published
6CPE	Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation 分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Aurora kinase A 著者 Otten, R, Kutter, S, Buosi, V, Padua, R.A.P, Kern, D. 登録日 2018-03-13 公開日 2018-06-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Dynamics of human protein kinase Aurora A linked to drug selectivity. Elife, 7, 2018
6CQH	Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor 分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... 著者 dos Reis, C.V, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) 登録日 2018-03-15 公開日 2018-03-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor To Be Published
6CJY	Crystal Structure of Mnk2-D228G in complex with Inhibitor 分子名称: 5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION 著者 Han, Q. 登録日 2018-02-27 公開日 2018-05-09 実験手法 X-RAY DIFFRACTION (3.05 Å) 主引用文献 Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
6CK3	Co-crytsal Structure of MNK2 in Complex With an Inhibitor 分子名称: (3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one, CHLORIDE ION, MAP kinase-interacting serine/threonine-protein kinase 2, ... 著者 Han, Q. 登録日 2018-02-27 公開日 2018-05-09 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
6CSW	Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor 分子名称: (7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... 著者 dos Reis, C.V, de Souza, G.P, Counago, R.M, Chiodi, C.G, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) 登録日 2018-03-21 公開日 2018-04-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor To Be Published
6CJW	Crystal Structure of Mnk2-D228G in Complex With Inhibitor 分子名称: 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION 著者 Han, Q. 登録日 2018-02-27 公開日 2018-05-09 実験手法 X-RAY DIFFRACTION (3.38 Å) 主引用文献 Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
6CMM	Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor 分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 dos Reis, C.V, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) 登録日 2018-03-05 公開日 2018-03-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor To Be Published
6CPF	Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP in an active conformation 分子名称: Aurora kinase A, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER 著者 Otten, R, Zorba, A, Padua, R.A.P, Kern, D. 登録日 2018-03-13 公開日 2018-06-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Dynamics of human protein kinase Aurora A linked to drug selectivity. Elife, 7, 2018
6CPW	Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology 分子名称: (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 Hruza, A, Hruza, A. 登録日 2018-03-14 公開日 2018-05-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Bioorg. Med. Chem. Lett., 28, 2018
6CQF	Crystal structure of HPK1 in complex an inhibitor G1858 分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine 著者 Wu, P, Lehoux, I, Mortara, K, Franke, Y, Chan, B.K, Wang, W. 登録日 2018-03-15 公開日 2018-12-19 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.246 Å) 主引用文献 Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
6D3L	Crystal structure of unphosphorylated human PKR 分子名称: Interferon-induced, double-stranded RNA-activated protein kinase 著者 Erlandsen, H, Mayo, C, Robinson, V.L, Cole, J.L. 登録日 2018-04-16 公開日 2019-07-10 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structural Basis of Protein Kinase R Autophosphorylation. Biochemistry, 58, 2019
6D3K	Crystal structure of unphosphorylated human PKR kinase domain in complex with ADP 分子名称: ADENOSINE-5'-DIPHOSPHATE, Interferon-induced, double-stranded RNA-activated protein kinase, ... 著者 Erlandsen, H, Mayo, C.B, Robinson, V.L, Cole, J.L. 登録日 2018-04-16 公開日 2019-07-10 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural Basis of Protein Kinase R Autophosphorylation. Biochemistry, 58, 2019
4O6L	Crystal Structure of TTK kinase domain with an inhibitor: 401498 (N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide) 分子名称: Dual specificity protein kinase TTK, GLYCEROL, N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide 著者 Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y. 登録日 2013-12-22 公開日 2014-12-24 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 Crystal Structure of TTK kinase domain with an inhibitor: 401498 TO BE PUBLISHED

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