PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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7AB7	Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) I52T Q148K variant 分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ... 著者 Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. 登録日 2020-09-06 公開日 2021-04-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins. J.Biol.Chem., 296, 2021
6RX7	Structure of the KIV type 2 (KIV-2) domain of lipoprotein (a) 分子名称: Apolipoprotein(a), GLYCEROL, SULFATE ION 著者 Santonastaso, A, Maggi, M, Scotti, C. 登録日 2019-06-07 公開日 2020-07-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 High resolution structure of human apolipoprotein (a) kringle IV type 2: beyond the lysine binding site. J.Lipid Res., 61, 2020
6S3O	Crystal structure of helicase Pif1 from Thermus oshimai in complex with ssDNA (dT)18 and ADP 分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ... 著者 Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G. 登録日 2019-06-25 公開日 2021-01-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.974 Å) 主引用文献 Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition. Nucleic Acids Res., 49, 2021
7AB6	Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) I52T variant 分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ... 著者 Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. 登録日 2020-09-06 公開日 2021-04-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins. J.Biol.Chem., 296, 2021
6RXB	Crystal structure of TetR-Q116A from Acinetobacter baumannii AYE in complex with minocycline 分子名称: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, 1,2-ETHANEDIOL, CHLORIDE ION, ... 著者 Tam, H.K, Himpich, S, Pos, K.M. 登録日 2019-06-07 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Binding of Tetracyclines to Acinetobacter baumannii TetR Involves Two Arginines as Specificity Determinants Front Microbiol, 2021
7A1E	LppS with covalent adduct derived from 1c 分子名称: ACETATE ION, L,D-transpeptidase 2, phenylmethanethiol 著者 Schnell, R, Steiner, E.M. 登録日 2020-08-12 公開日 2021-04-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis. Cell Chem Biol, 28, 2021
7A0Z	LppS with covalent adduct derived from 1b 分子名称: L,D-transpeptidase 2, TRIS(HYDROXYETHYL)AMINOMETHANE, benzenethiol 著者 Schnell, R, Steiner, E.M. 登録日 2020-08-11 公開日 2021-04-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis. Cell Chem Biol, 28, 2021
7A11	LppS with covalent adduct derived from 1E 分子名称: ACETATE ION, L,D-transpeptidase 2, propane-1-thiol 著者 Schnell, R, Steiner, E.M. 登録日 2020-08-11 公開日 2021-04-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis. Cell Chem Biol, 28, 2021
5M5R	Clathrin heavy chain N-terminal domain bound to beta2 adaptin clathrin box motif 分子名称: AP-2 complex subunit beta, Clathrin heavy chain 1 著者 Muenzner, J, Graham, S.C. 登録日 2016-10-22 公開日 2016-11-09 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Cellular and viral peptides bind multiple sites on the N-terminal domain of clathrin. Traffic, 18, 2017
7A1C	LdtMT2 with covalent adduct derived from N-Thio-beta-lactam 1a 分子名称: DIMETHYL SULFOXIDE, L,D-transpeptidase 2 著者 Schnell, R, Steiner, E.M. 登録日 2020-08-12 公開日 2021-04-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis. Cell Chem Biol, 28, 2021
7ABY	Crystal structure of iLOV-Q489K mutant 分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, Phototropin-2 著者 Granzin, J, Batra-Safferling, R. 登録日 2020-09-09 公開日 2021-04-21 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins. J.Biol.Chem., 296, 2021
6S57	Crystal structure of human ATAD2 bromodomain in complex withN-(3-(azepan-1-ylsulfonyl)-4-methylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide 分子名称: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... 著者 Chung, C. 登録日 2019-06-30 公開日 2019-08-21 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification. J.Med.Chem., 62, 2019
6S62	Crystal structure of 2-methylcitrate dehydratase (PrpD) from Pseudomonas aeruginosa in apo form. 分子名称: Propionate catabolic protein PrpD 著者 Wijaya, A.J, Brear, P, Dolan, S.K, Welch, M. 登録日 2019-07-02 公開日 2020-10-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Crystal structure of 2-methylcitrate dehydratase (PrpD) from Pseudomonas aeruginosa in apo form. To Be Published
5M70	Crystal Structure of human RhoGAP mutated in its arginin finger (R85A) in complex with RhoA.GDP.AlF4- human 分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... 著者 Pellegrini, E, Bowler, M.W. 登録日 2016-10-26 公開日 2017-05-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches. Angew. Chem. Int. Ed. Engl., 56, 2017
5M5J	Thioredoxin reductase from Giardia duodenalis 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, Thioredoxin reductase 著者 Fiorillo, A, Ilari, A, Lalle, M. 登録日 2016-10-21 公開日 2017-05-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structural characterization of Giardia duodenalis thioredoxin reductase (gTrxR) and computational analysis of its interaction with NBDHEX. Eur J Med Chem, 135, 2017
6S7C	Crystal structure of CARM1 in complex with inhibitor UM079 分子名称: 1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine, Histone-arginine methyltransferase CARM1 著者 Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. 登録日 2019-07-04 公開日 2020-03-04 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4). Biochem.J., 477, 2020
5M6C	CRYSTAL STRUCTURE OF T71N MUTANT OF HUMAN HIPPOCALCIN 分子名称: CALCIUM ION, Neuron-specific calcium-binding protein hippocalcin 著者 Helassa, N, Antonyuk, S.V, Lian, L.Y, Haynes, L.P, Burgoyne, R.D. 登録日 2016-10-24 公開日 2017-04-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Biophysical and functional characterization of hippocalcin mutants responsible for human dystonia. Hum. Mol. Genet., 26, 2017
6S1R	Structure of fission yeast Mis16 bound to histone H4 分子名称: Histone H4, Histone acetyltransferase type B subunit 2 著者 Lefevre, S, Korntner-Vetter, M, Singleton, M.R. 登録日 2019-06-19 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Subunit interactions and arrangements in the fission yeast Mis16-Mis18-Mis19 complex. Life Sci Alliance, 2, 2019
6S1X	X-ray structure of human glutamate carboxypeptidase II (GCPII)-E424M inactive mutant, in complex with a inhibitor KB1160 分子名称: (2~{S})-2-[[(3~{S})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid, 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 Barinka, C, Kutil, Z. 登録日 2019-06-19 公開日 2020-05-13 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen. J.Med.Chem., 63, 2020
6RHL	Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer 分子名称: (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 著者 Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. 登録日 2019-04-22 公開日 2019-08-21 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.299 Å) 主引用文献 Are crystallographic B-factors suitable for calculating protein conformational entropy? Phys Chem Chem Phys, 21, 2019
5M6R	Human porphobilinogen deaminase in complex with reaction intermediate 分子名称: 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION, ... 著者 Pluta, P, Millet, O, Roversi, P, Rojas, A.L, Gu, S. 登録日 2016-10-25 公開日 2017-11-15 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.73 Å) 主引用文献 Structural basis of pyrrole polymerization in human porphobilinogen deaminase. Biochim Biophys Acta Gen Subj, 1862, 2018
7AC8	Molecular basis for the unique allosteric activation mechanism of the heterodimeric imidazole glycerol phosphate synthase complex. 分子名称: GLUTAMINE, Imidazole glycerol phosphate synthase subunit HisF, Imidazole glycerol phosphate synthase subunit HisH, ... 著者 Sung, S, Wilmanns, M. 登録日 2020-09-10 公開日 2021-05-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Molecular basis for the allosteric activation mechanism of the heterodimeric imidazole glycerol phosphate synthase complex. Nat Commun, 12, 2021
6S2H	Structure Of D80A-Fructofuranosidase From Xanthophyllomyces Dendrorhous Complexed With Fructose And Catechol 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 Ramirez-Escudero, M, Sanz-Aparicio, J. 登録日 2019-06-20 公開日 2020-04-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of beta-fructofuranosidase from Xanthophyllomyces dendrorhous. Sci Rep, 9, 2019
6ZOD	Fusidic acid binding to the allosteric deep transmembrane domain binding pocket, TM7/TM8 groove, and TM1/TM2 groove of the fully induced AcrB T protomer 分子名称: 1,2-ETHANEDIOL, DARPIN, DECANE, ... 著者 Oswald, C, Tam, H.K, Pos, K.M. 登録日 2020-07-07 公開日 2021-05-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
6RIR	Crystal structure of phosphorylated Rab8a in complex with the Rab-binding domain of RILPL2 分子名称: GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Waschbusch, D, Purlyte, E, Alessi, D.R, Khan, A.R. 登録日 2019-04-25 公開日 2020-01-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.767 Å) 主引用文献 Structural Basis for Rab8a Recruitment of RILPL2 via LRRK2 Phosphorylation of Switch 2. Structure, 28, 2020

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