PDB: 45677 件ウェブページステータス検索Chemie searchBIRD

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4Z2J	Serratia marcescens Chitinase B complexed with macrolide inhibitor 31 分子名称: (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate, Chitinase B, GLYCEROL, ... 著者 Maita, N, Sugawara, A, Sunazuka, T. 登録日 2015-03-30 公開日 2015-07-01 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
4YYV	Ficin isoform C crystal form II 分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE, Ficin isoform C, SULFATE ION 著者 Azarkan, M, Baeyens-Volant, D, Loris, R. 登録日 2015-03-24 公開日 2016-04-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.902 Å) 主引用文献 Crystal structure of four variants of the protease Ficin from the common fig To Be Published
4EVX	Crystal structure of putative phage endolysin from S. enterica 分子名称: Putative phage endolysin 著者 Michalska, K, Li, H, Jedrzejczak, R, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Adkins, J.N, Joachimiak, A, Program for the Characterization of Secreted Effector Proteins (PCSEP), Midwest Center for Structural Genomics (MCSG) 登録日 2012-04-26 公開日 2012-05-23 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of putative phage endolysin from S. enterica To be Published
4IL8	Crystal structure of an H329A mutant of p. aeruginosa PMM/PGM 分子名称: GLYCEROL, MAGNESIUM ION, Phosphomannomutase/phosphoglucomutase 著者 Lee, Y, Mehra-Chaudhary, R, Furdui, C, Beamer, L. 登録日 2012-12-29 公開日 2013-08-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Identification of an essential active-site residue in the alpha-D-phosphohexomutase enzyme superfamily. Febs J., 280, 2013
4EFB	Crystal structure of DNA ligase 分子名称: 4-amino-2-(cyclopentyloxy)-6-{[(1R,2S)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ... 著者 Wei, Y, Wang, T, Charifson, P, Xu, W. 登録日 2012-03-29 公開日 2013-04-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of DNA ligase To be Published
4Z7H	Crystal structure of human IRE1 cytoplasmic kinase-RNase region - complex with imidazopyridine compound 3 分子名称: 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide, SULFATE ION, Serine/threonine-protein kinase/endoribonuclease IRE1 著者 Joshi, A, Bayliss, R. 登録日 2015-04-07 公開日 2015-05-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Molecular mechanisms of human IRE1 activation through dimerization and ligand binding. Oncotarget, 6, 2015
4EFU	Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid benzyl-methyl-amide 分子名称: Heat shock protein HSP 90-alpha, N-benzyl-6-hydroxy-N-methyl-3-(3-methylbenzyl)-1H-indazole-5-carboxamide, SULFATE ION 著者 Musil, D, Lehmann, M, Graedler, U, Buchstaller, H.-P. 登録日 2012-03-30 公開日 2012-06-27 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90 Bioorg.Med.Chem.Lett., 22, 2012
4Z7U	S13 complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ... 著者 Petersen, J, Rossjohn, J, Reid, H.H, Koning, F. 登録日 2015-04-08 公開日 2015-06-03 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Determinants of Gliadin-Specific T Cell Selection in Celiac Disease. J Immunol., 194, 2015
4ERJ	Crystal structure of the lysine riboswitch bound to a 6-aminocaproic acid 分子名称: 6-AMINOHEXANOIC ACID, Lysine riboswitch RNA 著者 Garst, A.D, Porter, E, Batey, R.T. 登録日 2012-04-20 公開日 2012-07-18 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Insights into the regulatory landscape of the lysine riboswitch. J.Mol.Biol., 423, 2012
4YYW	Ficin D2 分子名称: Ficin isoform D, SULFATE ION 著者 Azarkan, M, Baeyens-Volant, D, Loris, R. 登録日 2015-03-24 公開日 2016-04-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.446 Å) 主引用文献 Crystal structure of four variants of the protease Ficin from the common fig To Be Published
4ETR	X-ray structure of PA2169 from Pseudomonas aeruginosa 分子名称: Putative uncharacterized protein 著者 Schnell, R, Sandalova, T, Lindqvist, Y, Schneider, G. 登録日 2012-04-24 公開日 2013-01-09 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery. Acta Crystallogr.,Sect.F, 69, 2013
4ELU	Snapshot of the large fragment of DNA polymerase I from Thermus Aquaticus processing modified pyrimidines 分子名称: 2'-deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate), ACETATE ION, DNA (5'-D(*AP*AP*AP*GP*CP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... 著者 Marx, A, Diederichs, K, Obeid, S. 登録日 2012-04-11 公開日 2013-03-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Interactions of non-polar and "Click-able" nucleotides in the confines of a DNA polymerase active site. Chem.Commun.(Camb.), 48, 2012
4IH5	Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds 分子名称: 4-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidine, RNA-directed RNA polymerase 著者 Harris, S.F, Ghate, M. 登録日 2012-12-18 公開日 2013-07-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 De novo fragment design: a medicinal chemistry approach to fragment-based lead generation. J.Med.Chem., 56, 2013
4EJT	Staphylococcus epidermidis TcaR in complex with RNA 分子名称: 5'-R(*AP*A)-3', Transcriptional regulator TcaR 著者 Chang, Y.M, Chen, C.K.-M, Wang, A.H.-J. 登録日 2012-04-07 公開日 2013-06-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Functional studies of ssDNA binding ability of MarR family protein TcaR from Staphylococcus epidermidis. Plos One, 7, 2012
4IID	Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with 1-deoxynojirimycin 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-DEOXYNOJIRIMYCIN, ... 著者 Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. 登録日 2012-12-20 公開日 2013-04-10 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus Biochem.J., 452, 2013
4Z8U	CRYSTAL STRUCTURE OF AvrRxo1-ORF1:-ORF2 WITH ATP 分子名称: ACETATE ION, AvrRxo1-ORF1, AvrRxo1-ORF2, ... 著者 Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B. 登録日 2015-04-09 公開日 2015-09-23 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2. Structure, 23, 2015
4IIG	Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with D-glucose 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. 登録日 2012-12-20 公開日 2013-04-10 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus Biochem.J., 452, 2013
4YYR	Ficin B crystal form I 分子名称: Ficin B, SULFATE ION 著者 Azarkan, M, Baeyens-Volant, D, Loris, R. 登録日 2015-03-24 公開日 2016-04-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.349 Å) 主引用文献 Crystal structure of four variants of the protease Ficin from the common fig To Be Published
4EXT	Structure of polymerase-interacting domain of human Rev1 in complex with translesional synthesis polymerase zeta 分子名称: DNA repair protein REV1, Mitotic spindle assembly checkpoint protein MAD2B, peptide from DNA polymerase zeta catalytic subunit 著者 Liu, D.N, Ryu, K.S, Ko, J.S, Choi, B.S. 登録日 2012-05-01 公開日 2013-05-08 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Insights into the scaffold mechanism of human Rev1 in translesional synthesis revealed by structural studies on its polymerase-interacting domain To be Published
4IJ0	Structures of DNA duplexes containing O6-carboxymethylguanine, a lesion associated with gastrointestinal cancer, reveal a mechanism for inducing transition mutation 分子名称: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*CP*GP*CP*G)-3'), STRONTIUM ION 著者 Zhang, F, Suzuki, K, Tsunoda, M, Wilkinson, O, Millington, C.L, Williams, D.M, Morishita, E.C, Takenaka, A. 登録日 2012-12-20 公開日 2013-05-08 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Structures of DNA duplexes containing O6-carboxymethylguanine, a lesion associated with gastrointestinal cancer, reveal a mechanism for inducing pyrimidine transition mutations Nucleic Acids Res., 41, 2013
4EXS	Crystal structure of NDM-1 bound to L-captopril 分子名称: Beta-lactamase NDM-1, L-CAPTOPRIL, ZINC ION 著者 Strynadka, N.C.J, King, D.T. 登録日 2012-04-30 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition J.Am.Chem.Soc., 134, 2012
4F0G	Crystal Structure of the Roco4 Kinase Domain from D. discoideum 分子名称: Serine/threonine-protein kinase roco4 著者 Gilsbach, B.K, Vetter, I.R, Wittinghofer, A, Kortholt, A. 登録日 2012-05-04 公開日 2012-06-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Roco kinase structures give insights into the mechanism of Parkinson disease-related leucine-rich-repeat kinase 2 mutations. Proc.Natl.Acad.Sci.USA, 109, 2012
4ID1	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor 分子名称: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Gag-Pol polyprotein, SULFATE ION 著者 Feng, L, Kvaratskhelia, M. 登録日 2012-12-11 公開日 2013-05-01 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Allosteric integrase inhibitor potency is determined through the inhibition of HIV-1 particle maturation. Proc.Natl.Acad.Sci.USA, 110, 2013
4Z53	Quinolone(Trovafloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae 分子名称: DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, E-site DNA, MAGNESIUM ION, ... 著者 Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R. 登録日 2015-04-02 公開日 2016-09-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.26 Å) 主引用文献 Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae To Be Published
4IH6	Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds 分子名称: (5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione, RNA-directed RNA polymerase 著者 Harris, S.F, Wong, A. 登録日 2012-12-18 公開日 2013-07-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 De novo fragment design: a medicinal chemistry approach to fragment-based lead generation. J.Med.Chem., 56, 2013

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