PDB: 259 件ウェブページステータス検索Chemie searchBIRD

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6HHG	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 27 分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide 著者 Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. 登録日 2018-08-28 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
7K7L	Structure of a hit for G Protein Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure 分子名称: 3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Spurlino, J.C, Milligan, C. 登録日 2020-09-23 公開日 2020-10-28 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.539 Å) 主引用文献 Hit-to-lead optimization and discovery of a potent, and orally bioavailable G protein coupled receptor kinase 2 (GRK2) inhibitor. Bioorg.Med.Chem.Lett., 30, 2020
7K7Z	Structure of a hit for G Protein Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure 分子名称: 3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Spurlino, J.C, Milligan, C. 登録日 2020-09-24 公開日 2020-10-28 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.606087 Å) 主引用文献 Hit-to-lead optimization and discovery of a potent, and orally bioavailable G protein coupled receptor kinase 2 (GRK2) inhibitor. Bioorg.Med.Chem.Lett., 30, 2020
4EJN	Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide 分子名称: 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ... 著者 Eathiraj, S. 登録日 2012-04-06 公開日 2012-05-23 最終更新日 2013-01-02 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors. J.Med.Chem., 55, 2012
1OMW	Crystal Structure of the complex between G Protein-Coupled Receptor Kinase 2 and Heterotrimeric G Protein beta 1 and gamma 2 subunits 分子名称: G-protein coupled receptor kinase 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) gamma-2 subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(T) beta subunit 1 著者 Lodowski, D.T, Pitcher, J.A, Capel, W.D, Lefkowitz, R.J, Tesmer, J.J.G. 登録日 2003-02-26 公開日 2003-06-03 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Keeping G proteins at Bay: A Complex Between G Protein-Coupled Receptor Kinase 2 and G-Beta-Gamma Science, 300, 2003
2VRW	Critical structural role for the PH and C1 domains of the Vav1 exchange factor 分子名称: PROTO-ONCOGENE VAV, RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 1, ZINC ION 著者 Rapley, J, Tybulewicz, V, Rittinger, K. 登録日 2008-04-16 公開日 2008-06-17 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crucial Structural Role for the Ph and C1 Domains of the Vav1 Exchange Factor. Embo Rep., 9, 2008
6BBP	Model for compact volume of truncated monomeric Cytohesin-3 (Grp1; amino acids 63-399) E161A 6GS Arf6 Q67L fusion protein 分子名称: Cytohesin-3,ADP-ribosylation factor 6, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ... 著者 Das, S, Malaby, A.W, Lambright, D.G. 登録日 2017-10-19 公開日 2018-01-10 最終更新日 2023-11-29 実験手法 ELECTRON MICROSCOPY (35 Å) 主引用文献 Structural Dynamics Control Allosteric Activation of Cytohesin Family Arf GTPase Exchange Factors. Structure, 26, 2018
6S9W	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a 分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide 著者 Landel, I, Mueller, M.P, Rauh, D. 登録日 2019-07-15 公開日 2019-10-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity. Angew.Chem.Int.Ed.Engl., 58, 2019
6BCA	A Complex between PH Domain of LbcRhoGEF (AKAP-Lbc) and Activated RhoA Bound to a GTP Analog 分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, A-kinase anchor protein 13, MAGNESIUM ION, ... 著者 Sternweis, P.C, Chen, Z. 登録日 2017-10-20 公開日 2017-12-13 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.995 Å) 主引用文献 Crystal structures of the PH domains from Lbc family of RhoGEFs bound to activated RhoA GTPase. Data Brief, 17, 2018
6S9X	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c 分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide 著者 Landel, I, Mueller, M.P, Rauh, D. 登録日 2019-07-15 公開日 2019-10-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity. Angew.Chem.Int.Ed.Engl., 58, 2019
6BBQ	Model for extended volume of truncated monomeric Cytohesin-3 (Grp1; amino acids 63-399) E161A Arf6 Q67L fusion protein 分子名称: Cytohesin-3,ADP-ribosylation factor 6, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ... 著者 Das, S, Malaby, A.W, Lambright, D.G. 登録日 2017-10-19 公開日 2018-01-10 最終更新日 2023-11-29 実験手法 ELECTRON MICROSCOPY (35 Å) 主引用文献 Structural Dynamics Control Allosteric Activation of Cytohesin Family Arf GTPase Exchange Factors. Structure, 26, 2018
4KVG	Crystal structure of RIAM RA-PH domains in complex with GTP bound Rap1 分子名称: 1,2-ETHANEDIOL, Amyloid beta A4 precursor protein-binding family B member 1-interacting protein, GUANOSINE-5'-TRIPHOSPHATE, ... 著者 Zhang, H, Chang, Y.E, Brennan, M.L, Wu, J. 登録日 2013-05-22 公開日 2014-03-05 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 The structure of Rap1 in complex with RIAM reveals specificity determinants and recruitment mechanism. J Mol Cell Biol, 6, 2014
5UKM	bovine GRK2 in complex with human Gbetagamma subunits and CCG258208 (14as) 分子名称: 5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(1H-pyrazol-5-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Cruz-Rodriguez, O, Tesmer, J.J.G. 登録日 2017-01-23 公開日 2017-04-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.03 Å) 主引用文献 Structure-Based Design of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors Based on Paroxetine. J. Med. Chem., 60, 2017
4K81	Crystal structure of the Grb14 RA and PH domains in complex with GTP-loaded H-Ras 分子名称: GLYCEROL, GTPase HRas, GUANOSINE-5'-TRIPHOSPHATE, ... 著者 Qamra, R, Hubbard, S.R. 登録日 2013-04-17 公開日 2013-09-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural basis for the interaction of the adaptor protein grb14 with activated ras. Plos One, 8, 2013
6C2Y	Human GRK2 in complex with Gbetagamma subunits and CCG257142 分子名称: (4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Bouley, R, Tesmer, J.J.G. 登録日 2018-01-09 公開日 2018-04-25 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Utilizing a structure-based docking approach to develop potent G protein-coupled receptor kinase (GRK) 2 and 5 inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
5WG5	Human GRK2 in complex with Gbetagamma subunits and CCG224061 分子名称: 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Bouley, R, Tesmer, J.J.G. 登録日 2017-07-13 公開日 2017-12-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol. Pharmacol., 92, 2017
5WG4	Human GRK2 in complex with Gbetagamma subunits and CCG257284 分子名称: 2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(pyridin-2-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Bouley, R, Tesmer, J.J.G. 登録日 2017-07-13 公開日 2017-12-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol. Pharmacol., 92, 2017
5UKK	Human GRK2 in complex with human G-beta-gamma subunits and CCG211998 (14ak) 分子名称: 5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(pyridin-2-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Cato, M.C, Homan, K.T, Tesmer, J.J.G. 登録日 2017-01-23 公開日 2017-04-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure-Based Design of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors Based on Paroxetine. J. Med. Chem., 60, 2017
5UKL	Human GRK2 in complex with Gbetagamma subunits and CCG222886 (14bd) 分子名称: 2-{5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Cato, M.C, Homan, K.T, Tesmer, J.J.G. 登録日 2017-01-23 公開日 2017-04-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structure-Based Design of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors Based on Paroxetine. J. Med. Chem., 60, 2017
4KAX	Crystal structure of the Grp1 PH domain in complex with Arf6-GTP 分子名称: ADP-ribosylation factor 6, CITRIC ACID, Cytohesin-3, ... 著者 Lambright, D.G, Malaby, A.W, van den Berg, B. 登録日 2013-04-23 公開日 2013-08-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural basis for membrane recruitment and allosteric activation of cytohesin family Arf GTPase exchange factors. Proc.Natl.Acad.Sci.USA, 110, 2013
4MK0	Crystal structure of G protein-coupled receptor kinase 2 in complex with a a rationally designed paroxetine derivative 分子名称: 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-1H-isoindol-1-one, Beta-adrenergic receptor kinase 1, GLYCEROL, ... 著者 Homan, K.T, Tesmer, J.J.G. 登録日 2013-09-04 公開日 2014-01-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural and functional analysis of g protein-coupled receptor kinase inhibition by paroxetine and a rationally designed analog. Mol.Pharmacol., 85, 2014
3PSC	Bovine GRK2 in complex with Gbetagamma subunits 分子名称: Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 著者 Thal, D.M, Tesmer, J.J. 登録日 2010-12-01 公開日 2011-06-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.67 Å) 主引用文献 Molecular Mechanism of Selectivity among G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol.Pharmacol., 80, 2011
3PVU	Bovine GRK2 in complex with Gbetagamma subunits and a selective kinase inhibitor (CMPD101) 分子名称: 3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Thal, D.M, Tesmer, J.J. 登録日 2010-12-07 公開日 2011-06-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Molecular Mechanism of Selectivity among G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol.Pharmacol., 80, 2011
3PVW	Bovine GRK2 in complex with Gbetagamma subunits and a selective kinase inhibitor (CMPD103A) 分子名称: Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... 著者 Thal, D.M, Tesmer, J.J. 登録日 2010-12-07 公開日 2011-06-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Molecular Mechanism of Selectivity among G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol.Pharmacol., 80, 2011
1YM7	G Protein-Coupled Receptor Kinase 2 (GRK2) 分子名称: Beta-adrenergic receptor kinase 1 著者 Lodowski, D.T, Barnhill, J.F, Pyskadlo, R.M, Ghirlando, R, Sterne-Marr, R, Tesmer, J.J.G. 登録日 2005-01-20 公開日 2005-07-05 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (4.5 Å) 主引用文献 The role of Gbetagamma and domain interfaces in the activation of G protein-coupled receptor kinase 2 Biochemistry, 44, 2005

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