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

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4L46	Crystal structures of human p70S6K1-WT 分子名称: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ... 著者 Wang, J, Zhong, C, Ding, J. 登録日 2013-06-07 公開日 2013-07-24 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (3.01 Å) 主引用文献 Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif Biochem.J., 454, 2013
2BCJ	Crystal Structure of G Protein-Coupled Receptor Kinase 2 in Complex with Galpha-q and Gbetagamma Subunits 分子名称: G-protein-coupled receptor kinase 2, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Tesmer, J.J.G. 登録日 2005-10-19 公開日 2005-12-20 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (3.061 Å) 主引用文献 Snapshot of Activated G Proteins at the Membrane: The Gq-GRK2-G Complex Science, 310, 2005
4L45	Crystal structures of human p70S6K1-T389E 分子名称: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein 著者 Wang, J, Zhong, C, Ding, J. 登録日 2013-06-07 公開日 2013-07-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif Biochem.J., 454, 2013
4KRC	Crystal Structure of Pho85-Pcl10-ATP-gamma-S Complex 分子名称: Cyclin-dependent protein kinase PHO85, MAGNESIUM ION, PHO85 cyclin-10, ... 著者 Quiocho, F.A, Zheng, F. 登録日 2013-05-16 公開日 2013-09-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.597 Å) 主引用文献 New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition. J.Biol.Chem., 288, 2013
4KIK	Human IkB kinase beta 分子名称: Inhibitor of nuclear factor kappa-B kinase subunit beta, K-252A 著者 Liu, S, Mosyak, L. 登録日 2013-05-02 公開日 2013-06-26 最終更新日 2013-08-28 実験手法 X-RAY DIFFRACTION (2.83 Å) 主引用文献 Crystal Structure of a Human I kappa B Kinase beta Asymmetric Dimer. J.Biol.Chem., 288, 2013
4KRD	Crystal Structure of Pho85-Pcl10 Complex 分子名称: Cyclin-dependent protein kinase PHO85, PHO85 cyclin-10 著者 Quiocho, F.A, Zheng, F. 登録日 2013-05-16 公開日 2013-09-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.952 Å) 主引用文献 New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition. J.Biol.Chem., 288, 2013
2F2C	X-ray structure of human CDK6-Vcyclinwith the inhibitor aminopurvalanol 分子名称: (2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, Cell division protein kinase 6, Cyclin homolog, ... 著者 Schulze-Gahmen, U, Lu, H. 登録日 2005-11-16 公開日 2006-06-13 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Toward understanding the structural basis of cyclin-dependent kinase 6 specific inhibition. J.Med.Chem., 49, 2006
2EUF	X-ray structure of human CDK6-Vcyclin in complex with the inhibitor PD0332991 分子名称: 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, ACETATE ION, CALCIUM ION, ... 著者 Schulze-Gahmen, U, Lu, H. 登録日 2005-10-28 公開日 2006-07-04 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Toward understanding the structural basis of cyclin-dependent kinase 6 specific inhibition. J.Med.Chem., 49, 2006
4MX9	CDPK1 from Neospora caninum in complex with inhibitor UW1294 分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related 著者 Merritt, E.A. 登録日 2013-09-26 公開日 2013-10-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
4NST	Crystal structure of human Cdk12/Cyclin K in complex with ADP-aluminum fluoride 分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ... 著者 Boesken, C.A, Farnung, L, Anand, K, Geyer, M. 登録日 2013-11-29 公開日 2014-03-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The structure and substrate specificity of human Cdk12/Cyclin K. Nat Commun, 5, 2014
4MXA	CDPK1 from Neospora caninum in complex with inhibitor RM-1-132 分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related 著者 Merritt, E.A. 登録日 2013-09-26 公開日 2013-10-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
4O27	Crystal structure of MST3-MO25 complex with WIF motif 分子名称: 5-mer peptide from serine/threonine-protein kinase 24, ADENOSINE-5'-DIPHOSPHATE, Calcium-binding protein 39, ... 著者 Hao, Q, Feng, M, Zhou, Z.C. 登録日 2013-12-16 公開日 2014-12-03 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.185 Å) 主引用文献 Structural insights into regulatory mechanisms of MO25-mediated kinase activation. J.Struct.Biol., 186, 2014
4NH1	Crystal structure of a heterotetrameric CK2 holoenzyme complex carrying the Andante-mutation in CK2beta and consistent with proposed models of autoinhibition and trans-autophosphorylation 分子名称: Casein kinase II subunit alpha, Casein kinase II subunit beta, GLYCEROL, ... 著者 Schnitzler, A, Issinger, O.-G, Niefind, K. 登録日 2013-11-04 公開日 2014-03-12 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 The Protein Kinase CK2(Andante) Holoenzyme Structure Supports Proposed Models of Autoregulation and Trans-Autophosphorylation J.Mol.Biol., 426, 2014
4O1O	Crystal Structure of RNase L in complex with 2-5A 分子名称: Ribonuclease L, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate 著者 Huang, H, Zeqiraj, E, Ceccarelli, D.F, Sicheri, F. 登録日 2013-12-16 公開日 2014-02-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.27 Å) 主引用文献 Dimeric structure of pseudokinase RNase L bound to 2-5A reveals a basis for interferon-induced antiviral activity. Mol.Cell, 53, 2014
4NZW	Crystal Structure of STK25-MO25 Complex 分子名称: 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase 25 著者 Feng, M, Hao, Q, Zhou, Z.C. 登録日 2013-12-13 公開日 2014-12-03 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.583 Å) 主引用文献 Structural insights into regulatory mechanisms of MO25-mediated kinase activation. J.Struct.Biol., 186, 2014
4O1P	Crystal Structure of RNase L in complex with 2-5A and AMP-PNP 分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribonuclease L, ... 著者 Huang, H, Zeqiraj, E, Ceccarelli, D.F, Sicheri, F. 登録日 2013-12-16 公開日 2014-02-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Dimeric structure of pseudokinase RNase L bound to 2-5A reveals a basis for interferon-induced antiviral activity. Mol.Cell, 53, 2014
6E4T	Structure of AMPK bound to activator 分子名称: 1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... 著者 Calabrese, M.F, Kurumbail, R.G. 登録日 2018-07-18 公開日 2018-08-08 最終更新日 2018-09-05 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Acyl Glucuronide Metabolites of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1 H-indole-3-carboxylic Acid (PF-06409577) and Related Indole-3-carboxylic Acid Derivatives are Direct Activators of Adenosine Monophosphate-Activated Protein Kinase (AMPK). J. Med. Chem., 61, 2018
6E4U	Structure of AMPK bound to activator 分子名称: 1-O-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... 著者 Calabrese, M.F, Kurumbail, R.G. 登録日 2018-07-18 公開日 2018-08-08 最終更新日 2018-09-05 実験手法 X-RAY DIFFRACTION (3.27 Å) 主引用文献 Acyl Glucuronide Metabolites of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1 H-indole-3-carboxylic Acid (PF-06409577) and Related Indole-3-carboxylic Acid Derivatives are Direct Activators of Adenosine Monophosphate-Activated Protein Kinase (AMPK). J. Med. Chem., 61, 2018
6E4W	Structure of AMPK bound to activator 分子名称: 1-O-(4,6-difluoro-5-{4-[(2S)-oxan-2-yl]phenyl}-1H-indole-3-carbonyl)-beta-D-glucopyranuronic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... 著者 Calabrese, M.F, Kurumbail, R.G. 登録日 2018-07-18 公開日 2018-08-08 最終更新日 2018-09-05 実験手法 X-RAY DIFFRACTION (3.35 Å) 主引用文献 Acyl Glucuronide Metabolites of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1 H-indole-3-carboxylic Acid (PF-06409577) and Related Indole-3-carboxylic Acid Derivatives are Direct Activators of Adenosine Monophosphate-Activated Protein Kinase (AMPK). J. Med. Chem., 61, 2018
6EIX	Crystal structure of the kinase domain of the Q207E mutant of ACVR1 (ALK2) in complex with a 2-aminopyridine inhibitor K02288 分子名称: 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1 著者 Williams, E.P, Canning, P, Sanvitale, C.E, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. 登録日 2017-09-19 公開日 2017-09-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of the kinase domain of the Q207E mutant of ACVR1 (ALK2) in complex with K02288 To be published
6EQI	Structure of PINK1 bound to ubiquitin 分子名称: GLYCEROL, Nb696, Serine/threonine-protein kinase PINK1, ... 著者 Schubert, A.F, Gladkova, C, Pardon, E, Wagstaff, J.L, Freund, S.M.V, Steyaert, J, Maslen, S, Komander, D. 登録日 2017-10-13 公開日 2017-11-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structure of PINK1 in complex with its substrate ubiquitin. Nature, 552, 2017
6GU6	CDK1/Cks2 in complex with Dinaciclib 分子名称: 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2 著者 Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. 登録日 2018-06-19 公開日 2018-12-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
6GU4	CDK1/CyclinB/Cks2 in complex with CGP74514A 分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... 著者 Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. 登録日 2018-06-19 公開日 2018-12-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.73 Å) 主引用文献 Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
6GVA	CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455 分子名称: 1,2-ETHANEDIOL, 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, BROMIDE ION, ... 著者 Skerlova, J, Rezacova, P. 登録日 2018-06-20 公開日 2019-05-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models. J.Med.Chem., 62, 2019
6GVX	Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C) 分子名称: 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Maternal embryonic leucine zipper kinase 著者 Golik, P, Rembacz, K.P, Zrubek, K, Romanowska, M, Bugusz, J, Wladyka, B, Dubin, G. 登録日 2018-06-21 公開日 2019-05-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C). Arch.Biochem.Biophys., 671, 2019

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