PDB: 45459 件ウェブページステータス検索Chemie searchBIRD

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5WJJ	Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors 分子名称: Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide 著者 Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. 登録日 2017-07-23 公開日 2018-01-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
5WTW	Hepatitis B virus core protein Y132A mutant in P 41 21 2 Space Group 分子名称: CHLORIDE ION, Core protein 著者 Zhou, Z, Xu, Z.H. 登録日 2016-12-15 公開日 2017-02-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.623 Å) 主引用文献 Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms. Sci Rep, 7, 2017
5UMB	Crystal structure of ATPase domain of Malaria GRP78 with ADP bound 分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperone DnaK, MAGNESIUM ION, ... 著者 Chen, Y, Antoshchenko, T, Pizarro, J.C, Song, J.H, Park, H. 登録日 2017-01-26 公開日 2022-07-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Repurposing drugs to target the malaria parasite unfolding protein response. Sci Rep, 8, 2018
5UJL	Representative 1-conformer ensembles of K27-linked Ub2 from RDC data 分子名称: Ubiquitin 著者 Castaneda, C.A, Fushman, D. 登録日 2017-01-18 公開日 2017-10-25 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Linkage via K27 Bestows Ubiquitin Chains with Unique Properties among Polyubiquitins. Structure, 24, 2016
5UJN	Representative 2-conformer ensembles of K27-linked Ub2 from RDC data 分子名称: Ubiquitin 著者 Castaneda, C.A, Fushman, D. 登録日 2017-01-18 公開日 2018-08-08 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Linkage via K27 Bestows Ubiquitin Chains with Unique Properties among Polyubiquitins. Structure, 24, 2016
5VIY	BG505 SOSIP.664 in complex with broadly neutralizing antibodies BG1 and 8ANC195 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 G52K5 Fab heavy chain, ... 著者 Wang, H, Bjorkman, P.J. 登録日 2017-04-17 公開日 2017-06-21 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (6.2 Å) 主引用文献 Asymmetric recognition of HIV-1 Envelope trimer by V1V2 loop-targeting antibodies. Elife, 6, 2017
7WJI	Architecture of the human NALCN channelosome 分子名称: Calmodulin-1, Protein unc-79 homolog, Protein unc-80 homolog, ... 著者 Wu, J.P, Yan, Z, Zhou, L, Liu, H, Zhao, Q. 登録日 2022-01-06 公開日 2022-04-20 最終更新日 2024-06-26 実験手法 ELECTRON MICROSCOPY (4.5 Å) 主引用文献 Architecture of the human NALCN channelosome. Cell Discov, 8, 2022
7MJV	MiaB in the complex with s-adenosylmethionine and RNA 分子名称: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... 著者 Esakova, O.A, Grove, T.L, Yennawar, N.H, Arcinas, A.J, Wang, B, Krebs, C, Almo, S.C, Booker, S.J. 登録日 2021-04-20 公開日 2021-09-15 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Structural basis for tRNA methylthiolation by the radical SAM enzyme MiaB. Nature, 597, 2021
5VEF	PAK4 kinase domain in complex with fasudil 分子名称: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, ACETATE ION, Serine/threonine-protein kinase PAK 4 著者 Zhang, E.Y, Ha, B.H, Boggon, T.J. 登録日 2017-04-04 公開日 2017-10-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.752 Å) 主引用文献 PAK4 crystal structures suggest unusual kinase conformational movements. Biochim. Biophys. Acta, 1866, 2018
7WNO	Crystallographic structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4 determined by only neutron diffraction data. 分子名称: COPPER (II) ION, Phenylethylamine oxidase 著者 Murakawa, T, Okajima, T. 登録日 2022-01-19 公開日 2022-04-20 最終更新日 2022-05-25 実験手法 NEUTRON DIFFRACTION (1.72 Å) 主引用文献 Re-evaluation of protein neutron crystallography with and without X-ray/neutron joint refinement. Iucrj, 9, 2022
5VD7	CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-098, a MK1775 analogue 分子名称: 1,2-ETHANEDIOL, 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ... 著者 Zhu, J.-Y, Schonbrunn, E. 登録日 2017-04-01 公開日 2018-04-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structural basis of Wee family kinase inhibition by small molecules to be published
5VEE	PAK4 kinase domain in complex with FRAX486 分子名称: 6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 4 著者 Zhang, E.Y, Ha, B.H, Boggon, T.J. 登録日 2017-04-04 公開日 2017-10-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 PAK4 crystal structures suggest unusual kinase conformational movements. Biochim. Biophys. Acta, 1866, 2018
5VCO	THE CRYSTAL STRUCTURE OF DER P 1 ALLERGEN COMPLEXED WITH FAB FRAGMENT OF MAB 10B9 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HEAVY CHAIN OF FAB FRAGMENT OF 10B9 ANTIBODY, ... 著者 Osinski, T, Majorek, K.A, Pomes, A, Offermann, L.R, Osinski, S, Glesner, J, Vailes, L.D, Chapman, M.D, Minor, W, Chruszcz, M. 登録日 2017-03-31 公開日 2017-04-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Structural Analysis of Der p 1-Antibody Complexes and Comparison with Complexes of Proteins or Peptides with Monoclonal Antibodies. J. Immunol., 195, 2015
5VD5	CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-050, a MK1775 analougue 分子名称: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo [3,4-d]pyrimidin-3-one, CHLORIDE ION, Wee1-like protein kinase 著者 Zhu, J.-Y, Schonbrunn, E. 登録日 2017-04-01 公開日 2018-04-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structural basis of Wee family kinase inhibition by small molecules to be published
5WCI	Human MYST histone acetyltransferase 1 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Histone acetyltransferase KAT8, ... 著者 Dong, A, Zeng, H, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Zheng, Y.G, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) 登録日 2017-06-30 公開日 2017-07-26 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Human MYST histone acetyltransferase 1 to be published
5WBM	Structure of human Ketohexokinase complexed with hits from fragment screening 分子名称: Ketohexokinase, SULFATE ION, [(3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol 著者 Pandit, J. 登録日 2017-06-29 公開日 2017-09-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
5WBR	Structure of human Ketohexokinase complexed with hits from fragment screening 分子名称: 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ... 著者 Pandit, J. 登録日 2017-06-29 公開日 2017-09-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
5WDK	A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis 分子名称: 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide, Aminopeptidase C, POTASSIUM ION 著者 Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J. 登録日 2017-07-05 公開日 2018-07-11 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro. Acs Chem.Biol., 13, 2018
5WEV	Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model 分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK2 著者 Ultsch, M.H, Magnuson, S. 登録日 2017-07-10 公開日 2017-09-06 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.854 Å) 主引用文献 Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model. Bioorg. Med. Chem. Lett., 27, 2017
5WJN	Crystal Structure of HLA-A*11:01-GTS3 分子名称: Beta-2-microglobulin, GTS3 peptide, HLA class I histocompatibility antigen, ... 著者 Gras, S, Rossjohn, J. 登録日 2017-07-23 公開日 2017-09-20 最終更新日 2017-10-25 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response. Nat. Immunol., 18, 2017
5WHD	Crystal structure of KRas G12V/D38P, bound to GDP 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE 著者 Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L. 登録日 2017-07-16 公開日 2018-01-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.641 Å) 主引用文献 Exceptionally high-affinity Ras binders that remodel its effector domain. J. Biol. Chem., 293, 2018
5WMR	Crystal Structure of HLA-B8 in complex with QIK, a CMV peptide 分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ... 著者 Gras, S, Rossjohn, J. 登録日 2017-07-31 公開日 2018-06-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses. J. Immunol., 200, 2018
5WP6	Cryo-EM structure of a human TRPM4 channel in complex with calcium and decavanadate 分子名称: DECAVANADATE, Transient receptor potential cation channel subfamily M member 4 著者 Winkler, P.A, Huang, Y, Sun, W, Du, J, Lu, W. 登録日 2017-08-03 公開日 2017-12-13 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Electron cryo-microscopy structure of a human TRPM4 channel. Nature, 552, 2017
5TAE	Conformational Sampling Differences across the Arrhenius Plot Biphasic Break Point at Ambient Temperature in the Enzyme Thermolysin 分子名称: CALCIUM ION, LYSINE, PHOSPHATE ION, ... 著者 Dong, M, Bahnson, B.J. 登録日 2016-09-09 公開日 2017-08-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.302 Å) 主引用文献 Conformational Sampling Differences across the Arrhenius Plot Biphasic Break Point at Ambient Temperature in the Enzyme Thermolysin To Be Published
7YG1	Cryo-EM structure of the C-terminal domain of the human sodium-chloride cotransporter 分子名称: Solute carrier family 12 member 3 著者 Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q. 登録日 2022-07-09 公開日 2022-11-23 最終更新日 2024-07-03 実験手法 ELECTRON MICROSCOPY (3.77 Å) 主引用文献 Cryo-EM structure of the human sodium-chloride cotransporter NCC. Sci Adv, 8, 2022

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