PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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4C36	PKA-S6K1 Chimera with compound 15e (CCT147581) bound 分子名称: 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... 著者 Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. 登録日 2013-08-21 公開日 2013-10-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
4C37	PKA-S6K1 Chimera with compound 21a (CCT196539) bound 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(6-bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... 著者 Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. 登録日 2013-08-21 公開日 2013-10-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
4C4E	Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine, ... 著者 Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. 登録日 2013-09-05 公開日 2013-12-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
4BZD	Structure of CDK2 in complex with a benzimidazopyrimidine 分子名称: 6-(benzimidazol-1-yl)-N-[5-[3-(dimethylamino)propoxy]pyridin-2-yl]pyrimidin-4-amine, ACETATE ION, CYCLIN-DEPENDENT KINASE 2 著者 Tucker, J.A, Valentine, A, Stanway, J, Brassington, C. 登録日 2013-07-25 公開日 2014-08-13 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Structure of Cdk2 in Complex with a Benzimidazopyrimidine To be Published
4C4G	Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 分子名称: 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... 著者 Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. 登録日 2013-09-05 公開日 2013-12-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
4C59	Structure of GAK kinase in complex with nanobody (NbGAK_4) 分子名称: (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cyclin-G-associated kinase, NANOBODY 著者 Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S. 登録日 2013-09-10 公開日 2013-10-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies. Biochem. J., 459, 2014
4C0T	Candida albicans PKh Kinase Domain 分子名称: LIKELY PROTEIN KINASE 著者 Schulze, J.O, Pastor-Flores, D, Biondi, R.M. 登録日 2013-08-07 公開日 2013-10-23 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.16 Å) 主引用文献 The Pif-Pocket as a Target for C. Albicans Pkh Selective Inhibitors. Acs Chem.Biol., 8, 2013
4C4I	Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate 著者 Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. 登録日 2013-09-05 公開日 2013-12-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
4C3R	Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP 分子名称: AURORA KINASE A, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER 著者 Zorba, A, Kutter, S, Cho, Y.-J, Kern, D. 登録日 2013-08-26 公開日 2014-05-28 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Molecular Mechanism of Aurora a Kinase Autophosphorylation and its Allosteric Activation by Tpx2. Elife, 3, 2014
4H39	Crystal Structure of JNK3 in Complex with JIP1 Peptide 分子名称: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 10 著者 Nwachukwu, J.C, Laughlin, J.D, Figuera-Losada, M, Cherry, L, Nettles, K.W, LoGrasso, P.V. 登録日 2012-09-13 公開日 2012-11-21 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.992 Å) 主引用文献 Structural Mechanisms of Allostery and Autoinhibition in JNK Family Kinases. Structure, 20, 2012
4H3Q	Crystal structure of human ERK2 complexed with a MAPK docking peptide 分子名称: Dual specificity mitogen-activated protein kinase kinase 2, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Gogl, G, Toeroe, I, Remenyi, A. 登録日 2012-09-14 公開日 2013-02-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase Acta Crystallogr.,Sect.D, 69, 2013
4CVA	MPS1 kinase with 3-aminopyridin-2-one inhibitors 分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ... 著者 Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. 登録日 2014-03-24 公開日 2015-04-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition To be Published
3ZLX	Crystal structure of MEK1 in complex with fragment 18 分子名称: 7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-04 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3ZLS	Crystal structure of MEK1 in complex with fragment 6 分子名称: 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-04 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3ZM4	Crystal structure of MEK1 in complex with fragment 1 分子名称: 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-05 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3ZUU	The structure of OST1 (D160A, S175D) kinase in complex with gold 分子名称: 1,2-ETHANEDIOL, GOLD ION, Serine/threonine-protein kinase SRK2E 著者 Yunta, C, Martinez-Ripoll, M, Albert, A. 登録日 2011-07-20 公開日 2011-10-12 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 The structure of Arabidopsis thaliana OST1 provides insights into the kinase regulation mechanism in response to osmotic stress. J. Mol. Biol., 414, 2011
3ZLY	Crystal structure of MEK1 in complex with fragment 8 分子名称: 3-AMINO-1H-INDAZOLE-4-CARBONITRILE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-04 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3ZYA	Human p38 MAP Kinase in Complex with 2-amino-phenylamino- dibenzosuberone 分子名称: 2-AMINO-PHENYLAMINO-DIBENZOSUBERONE, MITOGEN-ACTIVATED PROTEIN KINASE 14 著者 Romir, J, Koeberle, S.C, Laufer, S.A, Stehle, T. 登録日 2011-08-18 公開日 2011-12-28 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Skepinone-L is a Selective P38 Mitogen-Activated Protein Kinase Inhibitor. Nat.Chem.Biol., 8, 2011
4HNF	Crystal structure of ck1d in complex with pf4800567 分子名称: 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Casein kinase I isoform delta 著者 Huang, X, Long, A.M, Zhao, H. 登録日 2012-10-19 公開日 2012-11-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Structural basis for the potent and selective inhibition of casein kinase 1 epsilon. J.Med.Chem., 55, 2012
4HOK	crystal structure of apo ck1e 分子名称: Casein kinase I isoform epsilon, SULFATE ION 著者 Huang, X, Long, A.M, Zhao, H. 登録日 2012-10-22 公開日 2012-11-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.77 Å) 主引用文献 Structural basis for the potent and selective inhibition of casein kinase 1 epsilon. J.Med.Chem., 55, 2012
4HPT	Crystal structure of the catalytic subunit of cAMP-dependent protein kinase displaying complete phosphoryl transfer of AMP-PNP onto a substrate peptide 分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... 著者 Bastidas, A.C, Steichen, J.M, Wu, J, Taylor, S.S. 登録日 2012-10-24 公開日 2013-03-20 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Phosphoryl transfer by protein kinase a is captured in a crystal lattice. J.Am.Chem.Soc., 135, 2013
3ZDU	Crystal structure of the human CDKL3 kinase domain 分子名称: 1,2-ETHANEDIOL, CYCLIN-DEPENDENT KINASE-LIKE 3, SODIUM ION, ... 著者 Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Pike, A.C.W, Quigley, A, MacKenzie, A, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. 登録日 2012-11-30 公開日 2013-03-20 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function. Cell Rep, 22, 2018
4HPU	Crystal structure of the catalytic subunit of cAMP-dependent protein kinase displaying partial phosphoryl transfer of AMP-PNP onto a substrate peptide 分子名称: MAGNESIUM ION, MYRISTIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Bastidas, A.C, Steichen, J.M, Wu, J, Taylor, S.S. 登録日 2012-10-24 公開日 2013-03-20 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Phosphoryl transfer by protein kinase a is captured in a crystal lattice. J.Am.Chem.Soc., 135, 2013
4BDJ	Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) 分子名称: 3-cyclopropyl-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine, CHECKPOINT KINASE 2, NITRATE ION 著者 Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. 登録日 2012-10-05 公開日 2013-06-26 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.01 Å) 主引用文献 Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
4BI1	Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor 分子名称: 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... 著者 Langdon, S.R, Westwood, I.M, van Montfort, R.L.M, Brown, N, Blagg, J. 登録日 2013-04-09 公開日 2013-05-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors. J.Chem.Inf.Model, 53, 2013

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