PDB: 47065 件ウェブページステータス検索Chemie searchBIRD

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4BDE	Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) 分子名称: 1,2-ETHANEDIOL, 6-METHYLQUINAZOLIN-4-AMINE, 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 (2.55 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
4BDN	Crystal structure of the GluK2 K531A-T779G LBD dimer in complex with glutamate 分子名称: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, GLUTAMIC ACID, ... 著者 Nayeem, N, Mayans, O, Green, T. 登録日 2012-10-05 公開日 2013-04-10 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements. Open Biol., 3, 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
1R4N	APPBP1-UBA3-NEDD8, an E1-ubiquitin-like protein complex with ATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Ubiquitin-like protein NEDD8, ZINC ION, ... 著者 Walden, H, Podgorski, M.S, Holton, J.M, Schulman, B.A. 登録日 2003-10-07 公開日 2003-12-23 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (3.6 Å) 主引用文献 The structure of the APPBP1-UBA3-NEDD8-ATP complex reveals the basis for selective ubiquitin-like protein activation by an E1. Mol.Cell, 12, 2003
4BF6	Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide 分子名称: 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... 著者 Tars, K, Leitans, J, Zalubovskis, R. 登録日 2013-03-15 公開日 2014-01-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies. Bioorg.Med.Chem., 21, 2013
4BF4	PikC D50N mutant in complex with the engineered cycloalkane substrate mimic bearing a termianl N,N-dimethylamino group 分子名称: 1.7.6 5-cyclododecyloxy-N,N-dimethyl-pentan-1-amine, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Podust, L.M. 登録日 2013-03-14 公開日 2014-03-26 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Recognition of Synthetic Substrates by P450 Pikc To be Published
5LF3	Human 20S proteasome complex with Bortezomib at 2.1 Angstrom 分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... 著者 Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. 登録日 2016-06-30 公開日 2016-08-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
4BGM	Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1- aminium chloride 分子名称: 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... 著者 Tars, K, Leitans, J, Kazaks, A. 登録日 2013-03-27 公開日 2014-03-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
4BHG	Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoate 分子名称: 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... 著者 Tars, K, Leitans, J, Kazaks, A. 登録日 2013-04-02 公開日 2014-04-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1-Dimethylhydrazin-1-Ium-2-Yl)Propanoate To be Published
3M4G	H57A HFQ from Pseudomonas Aeruginosa 分子名称: Protein hfq, ZINC ION 著者 Moskaleva, O, Melnik, B, Gabdulkhakov, A, Garber, M, Nikonov, S, Stolboushkina, E, Nikulin, A. 登録日 2010-03-11 公開日 2010-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The structures of mutant forms of Hfq from Pseudomonas aeruginosa reveal the importance of the conserved His57 for the protein hexamer organization. Acta Crystallogr.,Sect.F, 66, 2010
1RD5	Crystal structure of Tryptophan synthase alpha chain homolog BX1: a member of the chemical plant defense system 分子名称: MALONIC ACID, Tryptophan synthase alpha chain, chloroplast 著者 Kulik, V, Hartmann, E, Weyand, M, Frey, M, Gierl, A, Niks, D, Dunn, M.F, Schlichting, I. 登録日 2003-11-05 公開日 2004-12-28 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 On the structural basis of the catalytic mechanism and the regulation of the alpha subunit of tryptophan synthase from Salmonella typhimurium and BX1 from maize, two evolutionarily related enzymes. J.Mol.Biol., 352, 2005
5LCR	Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative (Ligand 04) 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, METHANOL, ... 著者 Wienen-Schmidt, B, Heine, A, Klebe, G. 登録日 2016-06-22 公開日 2018-01-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.565 Å) 主引用文献 Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives To Be Published
4OSR	Crystal structure of the S505K mutant of TAL effector dHax3 分子名称: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*GP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 著者 Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. 登録日 2014-02-13 公開日 2014-05-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.944 Å) 主引用文献 Revisiting the TALE repeat Protein Cell, 5, 2014
5LDJ	Crystal structure of E.coli LigT complexed with phosphate 分子名称: PHOSPHATE ION, RNA 2',3'-cyclic phosphodiesterase 著者 Myllykoski, M, Kursula, P. 登録日 2016-06-27 公開日 2017-01-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.802 Å) 主引用文献 Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase. PLoS ONE, 12, 2017
7A4F	Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-1 (120-mer) 分子名称: Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase 著者 Tetter, S, Hilvert, D. 登録日 2020-08-19 公開日 2021-06-02 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein. Science, 372, 2021
3MVI	Crystal structure of holo mADA at 1.6 A resolution 分子名称: Adenosine deaminase, GLYCEROL, ZINC ION 著者 Niu, W, Shu, Q, Chen, Z, Mathews, S, Di Cera, E, Frieden, C. 登録日 2010-05-04 公開日 2010-11-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The role of Zn2+ on the structure and stability of murine adenosine deaminase. J.Phys.Chem.B, 114, 2010
7A4J	Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-4 分子名称: Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase 著者 Tetter, S, Hilvert, D. 登録日 2020-08-19 公開日 2021-06-02 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (3.04 Å) 主引用文献 Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein. Science, 372, 2021
3M7N	archaeoglobus fulgidus exosome with RNA bound to the active site 分子名称: 5'-R(*C*UP*CP*CP*CP*C)-3', Probable exosome complex exonuclease 1, Probable exosome complex exonuclease 2, ... 著者 Hartung, S, Hopfner, K.-P. 登録日 2010-03-16 公開日 2010-04-28 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Quantitative analysis of processive RNA degradation by the archaeal RNA exosome Nucleic Acids Res., 38, 2010
7A4H	Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-2 (180-mer) 分子名称: Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase 著者 Tetter, S, Hilvert, D. 登録日 2020-08-19 公開日 2021-06-02 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (4.5 Å) 主引用文献 Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein. Science, 372, 2021
7A4G	Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-1 (180-mer) 分子名称: Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase 著者 Tetter, S, Hilvert, D. 登録日 2020-08-19 公開日 2021-06-02 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (4.2 Å) 主引用文献 Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein. Science, 372, 2021
4B71	Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function 分子名称: (1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3 著者 Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H. 登録日 2012-08-16 公開日 2012-10-03 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function. Nat.Chem.Biol., 8, 2012
3M62	Crystal structure of Ufd2 in complex with the ubiquitin-like (UBL) domain of Rad23 分子名称: PENTAETHYLENE GLYCOL, POTASSIUM ION, UV excision repair protein RAD23, ... 著者 Haenzelmann, P, Schindelin, H. 登録日 2010-03-15 公開日 2010-04-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 The yeast E4 ubiquitin ligase Ufd2 interacts with the ubiquitin-like domains of Rad23 and Dsk2 via a novel and distinct ubiquitin-like binding domain. J.Biol.Chem., 285, 2010
3M6R	Crystal structure of Arabidopsis thaliana peptide deformylase 1B (AtPDF1B) G41M mutant in complex with actinonin 分子名称: ACTINONIN, Peptide deformylase 1B, ZINC ION 著者 Fieulaine, S, Meinnel, T, Giglione, C. 登録日 2010-03-16 公開日 2011-03-30 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Trapping conformational states along ligand-binding dynamics of peptide deformylase: the impact of induced fit on enzyme catalysis Plos Biol., 9, 2011
7A4I	Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-3 分子名称: Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase 著者 Tetter, S, Hilvert, D. 登録日 2020-08-19 公開日 2021-06-02 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (7.04 Å) 主引用文献 Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein. Science, 372, 2021
5LF1	Human 20S proteasome complex with Dihydroeponemycin at 2.0 Angstrom 分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... 著者 Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. 登録日 2016-06-30 公開日 2016-08-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016

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