PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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6T9U	Bovine Trypsine in complex with the synthetic inhibitor (S)-3'-(N-(1-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)-[1,1'-biphenyl]-3-carboximidamide (MI-490) 分子名称: 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ... 著者 Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T. 登録日 2019-10-28 公開日 2020-11-18 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.067509 Å) 主引用文献 Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors Eur.J.Med.Chem., 2022
5UZC	Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P221 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, ... 著者 Maltseva, N, Kim, Y, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D.R, Hedstrom, L, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2017-02-26 公開日 2017-03-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P221 To Be Published
5UZV	Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (rI) 分子名称: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*C)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ... 著者 Shi, Y, Beese, L.S. 登録日 2017-02-27 公開日 2017-05-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V0C	Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' flap DNA (f2I) 分子名称: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*A)-3'), DNA (5'-D(P*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ... 著者 Shi, Y, Beese, L.S. 登録日 2017-02-28 公開日 2017-05-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4QKL	Influenza A M2 wild type TM domain at high pH in the lipidic cubic phase under room temperature diffraction conditions 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... 著者 Thomaston, J.L, DeGrado, W.F. 登録日 2014-06-06 公開日 2015-11-11 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.711 Å) 主引用文献 High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction. Proc.Natl.Acad.Sci.USA, 112, 2015
4IUS	GCN5-related N-acetyltransferase from Kribbella flavida. 分子名称: 1,2-ETHANEDIOL, GCN5-related N-acetyltransferase, MALONATE ION, ... 著者 Osipiuk, J, Chhor, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) 登録日 2013-01-21 公開日 2013-01-30 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 GCN5-related N-acetyltransferase from Kribbella flavida. To be Published
7K9M	Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine 分子名称: 5'-O-(L-phenylalanylsulfamoyl)adenosine, GLYCEROL, HEXAETHYLENE GLYCOL, ... 著者 Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2020-09-29 公開日 2021-05-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation. Nucleic Acids Res., 49, 2021
3UD6	Structural analyses of covalent enzyme-substrate analogue complexes reveal strengths and limitations of de novo enzyme design 分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION 著者 Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D. 登録日 2011-10-27 公開日 2011-11-23 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (2.091 Å) 主引用文献 Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J.Mol.Biol., 415, 2012
6TO0	Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 2(3)-alpha-L-arabinofuranosyl-xylotriose. 分子名称: GLYCEROL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A, alpha-L-arabinofuranose-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose 著者 Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J. 登録日 2019-12-11 公開日 2020-05-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity. Febs J., 287, 2020
5EEK	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with trichostatin A 分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, CHLORIDE ION, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-23 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
4QE0	Crystal structure of a DUF5043 family protein (BACUNI_01052) from Bacteroides uniformis ATCC 8492 at 1.85 A resolution 分子名称: GLYCEROL, SULFATE ION, hypothetical protein 著者 Joint Center for Structural Genomics (JCSG) 登録日 2014-05-14 公開日 2014-07-09 最終更新日 2023-02-01 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal structure of a hypothetical protein (BACUNI_01052) from Bacteroides uniformis ATCC 8492 at 1.85 A resolution To be published
2R2Q	Crystal structure of human Gamma-Aminobutyric Acid Receptor-Associated Protein-like 1 (GABARAP1), Isoform CRA_a 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Gamma-aminobutyric acid receptor-associated protein-like 1, UNKNOWN ATOM OR ION 著者 Tempel, W, Paramanathan, R, Davis, T, Mujib, S, Butler-Cole, C, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) 登録日 2007-08-27 公開日 2007-09-04 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal structure of human Gamma-Aminobutyric Acid Receptor-Associated Protein-like 1 (GABARAP1), Isoform CRA_a. To be Published
5EFZ	Monoclinic structure of the acetyl esterase MekB 分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... 著者 Toelzer, C, Pal, S, Watzlawick, H, Altenbuchner, J, Niefind, K. 登録日 2015-10-26 公開日 2015-12-16 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 A novel esterase subfamily with alpha / beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to l-homoserine O-acetyl transferases. Febs Lett., 590, 2016
6C0S	Factor XIA in complex with the inhibitor methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate 分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... 著者 Sheriff, S. 登録日 2018-01-02 公開日 2018-03-07 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
3FO7	Simultaneous inhibition of anti-coagulation and inflammation: Crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand binding site 分子名称: INDOMETHACIN, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION 著者 Singh, N, Prem Kumar, R, Sharma, S, Kaur, P, Singh, T.P. 登録日 2008-12-29 公開日 2009-01-20 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Simultaneous inhibition of anti-coagulation and inflammation: Crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand binding site To be Published
5VCX	CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN (UNTREATED) IN COMPLEX WITH SARACATINIB 分子名称: 1,2-ETHANEDIOL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE 著者 Zhu, J.-Y, Schonbrunn, E. 登録日 2017-04-01 公開日 2017-08-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors. J. Med. Chem., 60, 2017
6MOS	Structure of thioredoxin 1 from the thermophilic eubacterium Thermosipho africanus TCF52B 分子名称: TRIS(HYDROXYETHYL)AMINOMETHANE, Thioredoxin 著者 Sahtout, N, Kuttiyatveetil, J.R, Sanders, D.A.R. 登録日 2018-10-04 公開日 2019-08-14 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.80013728 Å) 主引用文献 Structure and function of the putative thioredoxin 1 from the thermophilic eubacterium Thermosipho africanus strain TCF52B. Biochim Biophys Acta Proteins Proteom, 1867, 2019
5EI4	First domain of human bromodomain BRD4 in complex with inhibitor 8-(5-Amino-1H-[1,2,4]triazol-3-ylsulfanylmethyl)-3-(4-chlorobenzyl)-7-ethyl-3,7-dihydropurine-2,6-dione 分子名称: 1,2-ETHANEDIOL, 8-[(3-azanyl-1~{H}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4 著者 Raux, B, Rebuffet, E, Betzi, S, Morelli, X. 登録日 2015-10-29 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins. J.Med.Chem., 59, 2016
3KU6	Crystal structure of a H2N2 influenza virus hemagglutinin, 226L/228G 分子名称: 1,2-ETHANEDIOL, 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 Xu, R, Wilson, I.A. 登録日 2009-11-26 公開日 2010-01-19 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure, receptor binding, and antigenicity of influenza virus hemagglutinins from the 1957 H2N2 pandemic. J.Virol., 84, 2010
6BO7	Crystal structure of Plasmodium vivax hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine 分子名称: Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid 著者 Guddat, L.W, Keough, D.T, Rejman, D. 登録日 2017-11-18 公開日 2017-12-13 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.856 Å) 主引用文献 Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics. ACS Chem. Biol., 13, 2018
3FJ8	Crystal structure of C117I mutant of Human acidic fibroblast growth factor 分子名称: Heparin-binding growth factor 1, SULFATE ION 著者 Blaber, M, Lee, J. 登録日 2008-12-14 公開日 2009-10-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The interaction between thermodynamic stability and buried free cysteines in regulating the functional half-life of fibroblast growth factor-1. J.Mol.Biol., 393, 2009
1ZDV	Solution Structure of the type 1 pilus assembly platform FimD(25-139) 分子名称: Outer membrane usher protein fimD 著者 Nishiyama, M, Horst, R, Herrmann, T, Vetsch, M, Bettendorff, P, Ignatov, O, Grutter, M, Wuthrich, K, Glockshuber, R, Capitani, G. 登録日 2005-04-15 公開日 2005-06-14 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Structural basis of chaperone-subunit complex recognition by the type 1 pilus assembly platform FimD. Embo J., 24, 2005
4R4K	Crystal structure of a cystatin-like protein (BACCAC_01506) from Bacteroides caccae ATCC 43185 at 1.69 A resolution 分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, ACETATE ION, CHLORIDE ION, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2014-08-19 公開日 2014-10-01 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Crystal structure of a hypothetical protein (BACCAC_01506) from Bacteroides caccae ATCC 43185 at 1.69 A resolution To be published
4JF1	R144Q mutant of N-acetylornithine aminotransferase 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Acetylornithine/succinyldiaminopimelate aminotransferase, ... 著者 Bisht, S, Bharath, S.R, Murthy, M.R.N. 登録日 2013-02-27 公開日 2014-03-26 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Conformational transitions, ligand specificity and catalysis in N-acetylornithine aminotransferase: Implications on drug designing and rational enzyme engineering in omega aminotransferases To be Published
6TKO	Phosphorylated turkey beta1 adrenoceptor with bound agonist formoterol coupled to arrestin-2 in lipid nanodisc. 分子名称: Beta-1 adrenergic receptor, Beta-arrestin-1, Fab30 heavy chain, ... 著者 Lee, Y, Tate, C.G. 登録日 2019-11-28 公開日 2020-06-17 最終更新日 2024-10-16 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Molecular basis of beta-arrestin coupling to formoterol-bound beta1-adrenoceptor. Nature, 583, 2020

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