PDB: 30476 件ウェブページステータス検索Chemie searchBIRD

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8I2E	Crystal structure of Bacillus subtilis LytE in complex with IseA 分子名称: Probable peptidoglycan endopeptidase LytE, Uncharacterized protein YoeB 著者 Tandukar, S, Kwon, E, Kim, D.Y. 登録日 2023-01-14 公開日 2023-04-05 最終更新日 2023-05-17 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structural insights into the regulation of peptidoglycan DL-endopeptidases by inhibitory protein IseA. Structure, 31, 2023
5W1H	Crystal structure of LbaCas13a (C2c2) bound to mature crRNA (24-nt spacer) 分子名称: GLYCEROL, IODIDE ION, LbaCas13a (C2c2), ... 著者 Knott, G.J, Doudna, J.A. 登録日 2017-06-03 公開日 2017-09-13 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Guide-bound structures of an RNA-targeting A-cleaving CRISPR-Cas13a enzyme. Nat. Struct. Mol. Biol., 24, 2017
8HYH	Structure of amino acid dehydrogenase3448 分子名称: 1,2-ETHANEDIOL, Alanine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Sakuraba, H, Ohshima, T. 登録日 2023-01-06 公開日 2023-04-05 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Two different alanine dehydrogenases from Geobacillus kaustophilus: Their biochemical characteristics and differential expression in vegetative cells and spores. Biochim Biophys Acta Proteins Proteom, 1871, 2023
8IGN	Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 著者 Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. 登録日 2023-02-21 公開日 2023-04-05 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
5W58	Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor) 分子名称: (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J. 登録日 2017-06-14 公開日 2018-01-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.267 Å) 主引用文献 Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site. J. Biol. Chem., 293, 2018
8I2D	Crystal structure of Bacillus subtilis LytE 分子名称: Probable peptidoglycan endopeptidase LytE 著者 Tandukar, S, Kwon, E, Kim, D.Y. 登録日 2023-01-14 公開日 2023-04-19 最終更新日 2023-05-17 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Structural insights into the regulation of peptidoglycan DL-endopeptidases by inhibitory protein IseA. Structure, 31, 2023
8IGO	Crystal structure of apo SARS-CoV-2 main protease 分子名称: 3C-like proteinase nsp5 著者 Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. 登録日 2023-02-21 公開日 2023-04-05 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
8IFO	Crystal structure of estrogen related receptor-gamma DNA binding domain complexed with Pla2g12b promoter 分子名称: DNA (5'-D(*GP*AP*GP*GP*AP*CP*AP*AP*AP*GP*GP*TP*GP*AP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*TP*CP*AP*CP*CP*TP*TP*TP*GP*TP*CP*CP*TP*C)-3'), Estrogen-related receptor gamma, ... 著者 Xu, T, Zhen, X, Liu, J. 登録日 2023-02-19 公開日 2023-03-29 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 ERR gamma-DBD undergoes dimerization and conformational rearrangement upon binding to the downstream site of the DR1 element. Biochem.Biophys.Res.Commun., 656, 2023
8I27	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface 分子名称: 1,2-ETHANEDIOL, 4-methoxybenzenecarbonitrile, SULFATE ION, ... 著者 Xiang, M, Zhou, H. 登録日 2023-01-14 公開日 2023-04-12 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I2F	Crystal structure of Bacillus subtilis LytE catalytic domain in complex with IseA 分子名称: Probable peptidoglycan endopeptidase LytE, Uncharacterized protein YoeB 著者 Tandukar, S, Kwon, E, Kim, D.Y. 登録日 2023-01-14 公開日 2023-04-05 最終更新日 2023-05-17 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Structural insights into the regulation of peptidoglycan DL-endopeptidases by inhibitory protein IseA. Structure, 31, 2023
8I1Y	The structure of E. coli TrpRS bound with a chemical fragment 分子名称: 5-ethanoylthiophene-2-carbonitrile, SULFATE ION, TRYPTOPHANYL-5'AMP, ... 著者 Xiang, M, Zhou, H. 登録日 2023-01-13 公開日 2023-04-12 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I5I	Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG53 Fab 分子名称: Fab Heavy chain, Fab Light chain, Spike protein S1 著者 Yamamoto, A, Higashiura, A. 登録日 2023-01-25 公開日 2023-04-19 実験手法 X-RAY DIFFRACTION (3.06 Å) 主引用文献 Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants. Commun Biol, 6, 2023
8INH	ZjOGT3, flavonoid 7,4'-di-O-glycosyltransferase 分子名称: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE 著者 Wang, Z.L, Wang, H.D, Li, F.D, Ye, M. 登録日 2023-03-09 公開日 2023-04-19 最終更新日 2023-06-14 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Functional characterization, structural basis, and regio-selectivity control of a promiscuous flavonoid 7,4'-di- O -glycosyltransferase from Ziziphus jujuba var. spinosa. Chem Sci, 14, 2023
8I5H	Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG48 Fab 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ... 著者 Yamamoto, A, Higashiura, A. 登録日 2023-01-25 公開日 2023-04-19 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants. Commun Biol, 6, 2023
8I2A	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface 分子名称: 1,2-ETHANEDIOL, 5-METHOXYBENZIMIDAZOLE, SULFATE ION, ... 著者 Xiang, M, Zhou, H. 登録日 2023-01-14 公開日 2023-04-12 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
5VT9	Myosin Light chain 1 and MyoA complex 分子名称: Myosin light chain TgMLC1, Myosin-A 著者 Powell, C.J, Parker, M.L, Boulanger, M.J. 登録日 2017-05-16 公開日 2017-10-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Dissecting the molecular assembly of the Toxoplasma gondii MyoA motility complex. J. Biol. Chem., 292, 2017
8I8Y	A mutant of the C-terminal complex of proteins 4.1G and NuMA 分子名称: Engineered protein 著者 Hu, X. 登録日 2023-02-06 公開日 2023-04-19 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Combined prediction and design reveals the target recognition mechanism of an intrinsically disordered protein interaction domain. Proc.Natl.Acad.Sci.USA, 120, 2023
8I2L	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface 分子名称: 1,2-ETHANEDIOL, CHLORZOXAZONE, SULFATE ION, ... 著者 Xiang, M, Zhou, H. 登録日 2023-01-14 公開日 2023-04-12 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
5VQ4	Nitrogenase Av1 at pH 5 分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... 著者 Morrison, C.N, Spatzal, T, Rees, D.C. 登録日 2017-05-07 公開日 2017-07-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Reversible Protonated Resting State of the Nitrogenase Active Site. J. Am. Chem. Soc., 139, 2017
8I1W	The asymmetric structure of homodimeric E. coli TrpRS bound with tryptophanyl adenylate at one of its two active pockets 分子名称: SULFATE ION, TRYPTOPHANYL-5'AMP, Tryptophan--tRNA ligase 著者 Xiang, M, Zhou, H. 登録日 2023-01-13 公開日 2023-04-12 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I1Z	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment 分子名称: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone, SULFATE ION, TRYPTOPHANYL-5'AMP, ... 著者 Xiang, M, Zhou, H. 登録日 2023-01-13 公開日 2023-04-12 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I2C	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface 分子名称: 1,2-ETHANEDIOL, 4-methoxyaniline, SULFATE ION, ... 著者 Xiang, M, Zhou, H. 登録日 2023-01-14 公開日 2023-04-12 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8ILZ	Crystal structure of the RRM domain of human SETD1B 分子名称: Histone-lysine N-methyltransferase SETD1B 著者 Bao, S, Xu, C. 登録日 2023-03-05 公開日 2023-04-26 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Molecular insight into the SETD1A/B N-terminal region and its interaction with WDR82. Biochem.Biophys.Res.Commun., 658, 2023
5VUM	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2017-05-19 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
8ILY	Crystal structure of the RRM domain of human SETD1A 分子名称: SET domain containing 1A, histone lysine methyltransferase 著者 Bao, S, Xu, C. 登録日 2023-03-05 公開日 2023-04-26 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Molecular insight into the SETD1A/B N-terminal region and its interaction with WDR82. Biochem.Biophys.Res.Commun., 658, 2023

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