PDB: 214772 件ウェブページステータス検索Chemie searchBIRD

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5GPB	COMPARISON OF THE BINDING OF GLUCOSE AND GLUCOSE-1-PHOSPHATE DERIVATIVES TO T-STATE GLYCOGEN PHOSPHORYLASE B 分子名称: (1S)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE, ... 著者 Martin, J.L, Johnson, L.N. 登録日 1990-06-04 公開日 1992-10-15 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Comparison of the binding of glucose and glucose 1-phosphate derivatives to T-state glycogen phosphorylase b. Biochemistry, 29, 1990
3J07	Model of a 24mer alphaB-crystallin multimer 分子名称: Alpha-crystallin B chain 著者 Jehle, S, Vollmar, B, Bardiaux, B, Dove, K.K, Rajagopal, P, Gonen, T, Oschkinat, H, Klevit, R.E. 登録日 2011-04-27 公開日 2016-01-20 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (20 Å), SOLID-STATE NMR, SOLUTION SCATTERING 主引用文献 N-terminal domain of {alpha}B-crystallin provides a conformational switch for multimerization and structural heterogeneity. Proc.Natl.Acad.Sci.USA, 108, 2011
4HFX	Crystal structure of a transcription elongation factor B polypeptide 3 from Homo sapiens, Northeast Structural Genomics consortium target id HR4748B. 分子名称: SULFATE ION, Transcription elongation factor B polypeptide 3 著者 Seetharaman, J, Su, M, Ciccosanti, C, Sahdev, S, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) 登録日 2012-10-05 公開日 2012-12-12 最終更新日 2018-01-24 実験手法 X-RAY DIFFRACTION (2.54 Å) 主引用文献 Crystal structure of a transcription elongation factor B polypeptide 3 from Homo sapiens, Northeast Structural Genomics consortium target id HR4748B. (CASP Target) TO BE PUBLISHED
5D6P	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ... 著者 Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. 登録日 2015-08-12 公開日 2015-11-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
2X6D	Aurora-A bound to an inhibitor 分子名称: 6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION 著者 Kosmopoulou, M, Bayliss, R. 登録日 2010-02-17 公開日 2010-07-07 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.796 Å) 主引用文献 Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. J. Med. Chem., 53, 2010
5D6Q	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ... 著者 Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. 登録日 2015-08-12 公開日 2015-11-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
2X6E	Aurora-A bound to an inhibitor 分子名称: 6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL)METHYL]PIPERAZIN-1-YL}-2-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6 著者 Kosmopoulou, M, Bayliss, R. 登録日 2010-02-17 公開日 2010-07-07 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.35 Å) 主引用文献 Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. J. Med. Chem., 53, 2010
7XQ8	Structure of human B-cell antigen receptor of the IgM isotype 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, B-cell antigen receptor complex-associated protein alpha chain, B-cell antigen receptor complex-associated protein beta chain, ... 著者 Chen, M.Y, Su, Q, Shi, Y.G. 登録日 2022-05-07 公開日 2022-08-17 最終更新日 2022-08-31 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Cryo-EM structure of the human IgM B cell receptor. Science, 377, 2022
5DEG	Crystal structure of B*27:06 bound to the pVIPR peptide 分子名称: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ... 著者 Loll, B, Fabian, H, Hee, C.S, Huser, H, Uchanska-Ziegler, B, Ziegler, A. 登録日 2015-08-25 公開日 2015-11-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Increased Conformational Flexibility of HLA-B*27 Subtypes Associated With Ankylosing Spondylitis. Arthritis Rheumatol, 68, 2016
5ACC	A Novel Oral Selective Estrogen Receptor Down-regulator, AZD9496, drives Tumour Growth Inhibition in Estrogen Receptor positive and ESR1 Mutant Models 分子名称: (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID, ESTROGEN RECEPTOR 著者 Norman, R.A, Weir, H.M, Bradbury, R.H, Lawson, M, Rabow, A.A, Buttar, D, Callis, R.J, Curwen, J.O, de Almeida, C, Ballard, P, Hulse, M, Donald, C.S, Feron, L.J.L, Gingell, H, Karoutchi, G, MacFaul, P, Moss, T, Pearson, S.E, Tonge, M, Davies, G, Walker, G.E, Wilson, Z, Rowlinson, R, Powell, S, Hemsley, P, Linney, E, Campbell, H, Ghazoui, Z, Sadler, C, Richmond, G, Pazolli, E, Mazzola, A.M, DCruz, C, De Savi, C. 登録日 2015-08-15 公開日 2015-12-16 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist. J.Med.Chem., 58, 2015
5VLX	Dehaloperoxidase B mutant F21W 分子名称: Dehaloperoxidase B, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Carey, L.M, Ghiladi, R.A. 登録日 2017-04-26 公開日 2017-12-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Selective tuning of activity in a multifunctional enzyme as revealed in the F21W mutant of dehaloperoxidase B from Amphitrite ornata. J. Biol. Inorg. Chem., 23, 2018
3JV6	Crystal structure of the dimerization domains p52 and RelB 分子名称: Nuclear factor NF-kappa-B p100 subunit, SULFATE ION, Transcription factor RelB 著者 Vu, D, Huang, D.B, Ghosh, G. 登録日 2009-09-15 公開日 2010-11-24 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 A structural basis for selective dimerization by NF-kappa B RelB. J.Mol.Biol., 425, 2013
6I5H	Crystal structure of CLK1 in complex with furanopyrimidin VN412 分子名称: 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, ... 著者 Schroeder, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2018-11-13 公開日 2019-01-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
3GKY	The Structural Basis of an ER Stress-Associated Bottleneck in a Protein Folding Landscape 分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ... 著者 Liu, M, Wan, Z.L, Chu, Y.C, Alddin, H, Klaproth, B, Weiss, M.A. 登録日 2009-03-11 公開日 2009-03-24 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of a "nonfoldable" insulin: IMPAIRED FOLDING EFFICIENCY DESPITE NATIVE ACTIVITY. J.Biol.Chem., 284, 2009
1XH9	Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants 分子名称: (R,R)-2,3-BUTANEDIOL, N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... 著者 Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. 登録日 2004-09-17 公開日 2005-09-17 最終更新日 2021-11-10 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
1XH5	Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants 分子名称: (R,R)-2,3-BUTANEDIOL, N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... 著者 Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. 登録日 2004-09-17 公開日 2005-09-17 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
5UOO	BRD4 bromodomain 2 in complex with CD161 分子名称: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole, Bromodomain-containing protein 4 著者 Meagher, J.L, Stuckey, J.A. 登録日 2017-02-01 公開日 2017-05-17 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor. J. Med. Chem., 60, 2017
5CT7	BRAF in Complex with RAF265 分子名称: 1-methyl-5-({2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine, Serine/threonine-protein kinase B-raf 著者 Appleton, B.A. 登録日 2015-07-23 公開日 2015-09-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.17 Å) 主引用文献 Discovery of RAF265: A Potent mut-B-RAF Inhibitor for the Treatment of Metastatic Melanoma. Acs Med.Chem.Lett., 6, 2015
5AAD	Aurora A kinase bound to an imidazopyridine inhibitor (7a) 分子名称: 7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION 著者 McIntyre, P.J, Kosmopoulou, M, Bayliss, R. 登録日 2015-07-24 公開日 2015-09-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
5AAF	Aurora A kinase bound to an imidazopyridine inhibitor (14a) 分子名称: 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide, AURORA KINASE A 著者 McIntyre, P.J, Bayliss, R. 登録日 2015-07-24 公開日 2015-09-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
5AAG	Aurora A kinase bound to an imidazopyridine inhibitor (14b) 分子名称: AURORA KINASE A, [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone 著者 McIntyre, P.J, Bayliss, R. 登録日 2015-07-24 公開日 2015-09-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
5AAE	Aurora A kinase bound to an imidazopyridine inhibitor (14d) 分子名称: 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole, AURORA KINASE A 著者 McIntyre, P.J, Bayliss, R. 登録日 2015-07-24 公開日 2015-09-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.11 Å) 主引用文献 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
1XHA	Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants 分子名称: N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... 著者 Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. 登録日 2004-09-17 公開日 2005-09-17 最終更新日 2021-11-10 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
1XH8	Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants 分子名称: N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... 著者 Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. 登録日 2004-09-17 公開日 2005-09-17 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
1XH6	Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants 分子名称: N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... 著者 Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. 登録日 2004-09-17 公開日 2005-09-17 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005

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