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

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7RH4	Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside 分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside 著者 Collins, P.M, Kishor, C, Blanchard, H. 登録日 2021-07-16 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.201 Å) 主引用文献 Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J.Med.Chem., 65, 2022
6IMW	The complex structure of endo-beta-1,2-glucanase mutant (E262Q) from Talaromyces funiculosus with beta-1,2-glucan 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Endo-beta-1,2-glucanase, ... 著者 Tanaka, N, Nakajima, M, Narukawa-Nara, M, Matsunaga, H, Kamisuki, S, Aramasa, H, Takahashi, Y, Sugimoto, N, Abe, K, Miyanaga, A, Yamashita, T, Sugawara, F, Kamakura, T, Komba, S, Nakai, H, Taguchi, H. 登録日 2018-10-23 公開日 2019-04-10 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification, characterization, and structural analyses of a fungal endo-beta-1,2-glucanase reveal a new glycoside hydrolase family. J.Biol.Chem., 294, 2019
5WP3	Crystal Structure of EED in complex with EB22 分子名称: EB22, Polycomb protein EED, UNKNOWN ATOM OR ION 著者 Dong, C, Tempel, W, Zhu, L, Moody, J.D, Baker, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) 登録日 2017-08-03 公開日 2017-09-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7RH1	Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(3-nitro-benzoyl)-3-toluoyl-b-D-talopyranoside 分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyranoside 著者 Collins, P.M, Kishor, C, Blanchard, H. 登録日 2021-07-16 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.444 Å) 主引用文献 Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J.Med.Chem., 65, 2022
7LOW	S-adenosylmethionine synthetase 分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ... 著者 Tan, L.L, Jackson, C.J. 登録日 2021-02-10 公開日 2021-03-31 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases. Jacs Au, 1, 2021
5HS1	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) complexed with Voriconazole 分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole 著者 Sabherwal, M, Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. 登録日 2016-01-24 公開日 2016-06-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
7LOZ	S-adenosylmethionine synthetase 分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ... 著者 Tan, L.L, Jackson, C.J. 登録日 2021-02-11 公開日 2021-03-31 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases. Jacs Au, 1, 2021
8PO1	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R] 分子名称: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION 著者 Hargreaves, D. 登録日 2023-07-03 公開日 2024-06-05 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
8B5S	Crystal Structure of P. aeruginosa WaaG in complex with UDP-glucose 分子名称: UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-GLUCOSE 著者 Scaletti, E, Gustafsson Westergren, R, Stenmark, P. 登録日 2022-09-24 公開日 2023-10-04 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis. J.Biol.Chem., 299, 2023
6R7O	Crystal structure of the central region of human cohesin subunit STAG1 分子名称: Cohesin subunit SA-1 著者 Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2019-03-29 公開日 2019-04-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers. Life Sci Alliance, 3, 2020
8B62	Crystal Structure of P. aeruginosa WaaG in complex with UDP-galactose 分子名称: GALACTOSE-URIDINE-5'-DIPHOSPHATE, GLYCEROL, UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG 著者 Scaletti, E, Gustafsson Westergren, R, Stenmark, P. 登録日 2022-09-25 公開日 2023-10-04 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis. J.Biol.Chem., 299, 2023
8B87	Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide 分子名称: AMMONIUM ION, DI(HYDROXYETHYL)ETHER, Protein E6, ... 著者 Stewart, B.Z, Kvansakul, M. 登録日 2022-10-04 公開日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide To Be Published
7RGC	Crystal structure of triosephosphate isomerase from Candidatus Absconditabacteria (Sr1) bacterium 分子名称: Triosephosphate isomerase 著者 Vickers, C.J, Compton, J, Fraga, D, Patrick, W.M. 登録日 2021-07-15 公開日 2022-07-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Structure of Sr1TPI - Candidatus Absconditabacteria bacterium triosephoshate isomerase To Be Published
7LZW	Structure of SARS-CoV-2 3CL protease in complex with inhibitor 20b (deuterated analog of 19b) 分子名称: (1R,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase 著者 Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. 登録日 2021-03-10 公開日 2021-03-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
6R7T	Crystal Structure of human Melanoma-associated antigen B1 (MAGEB1) in complex with nanobody 分子名称: Melanoma-associated antigen B1, anti MAGEB1 nanobody 著者 Ye, M, Newman, J, Pike, A.C.W, Burgess-Brown, N, Cooper, C.D.O, Bountra, C, Arrowsmith, C, Edwards, A, Gileadi, O, von Delft, F. 登録日 2019-03-29 公開日 2019-05-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.682 Å) 主引用文献 Crystal Structure of Melanoma-associated antigen B1 (MAGEB1) in complex with nanobody To Be Published
6GLC	Structure of phospho-Parkin bound to phospho-ubiquitin 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... 著者 Gladkova, C, Maslen, S.L, Skehel, J.M, Komander, D. 登録日 2018-05-23 公開日 2018-06-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Mechanism of parkin activation by PINK1. Nature, 559, 2018
8B63	Crystal Structure of P. aeruginosa WaaG in complex with UDP-GalNAc 分子名称: ACETATE ION, UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-DIPHOSPHATE, ... 著者 Scaletti, E, Gustafsson Westergren, R, Stenmark, P. 登録日 2022-09-25 公開日 2023-10-04 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis. J.Biol.Chem., 299, 2023
7R5T	CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT F254I COMPLEXED WITH FE, NADH, AND GLYCEROL 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADENOSINE-5-DIPHOSPHORIBOSE, FE (III) ION, ... 著者 Sridhar, S, Kiema, T.R, Wierenga, R, Widersten, M. 登録日 2022-02-11 公開日 2022-10-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics. Febs J., 290, 2023
7LZZ	Structure of SARS-CoV-2 3CL protease in complex with inhibitor 5c 分子名称: (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase 著者 Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. 登録日 2021-03-10 公開日 2021-03-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
7RSM	Crystal structure of pyrrolysyl-tRNA synthetase (N346D/C348S/Y384F) in complex with o-Chlorophenylalanine and AMP-PNP 分子名称: 2-chloro-L-phenylalanine, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pyrrolysine--tRNA ligase 著者 Yang, K, Liu, W. 登録日 2021-08-11 公開日 2022-07-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 A Designed, Highly Efficient Pyrrolysyl-tRNA Synthetase Mutant Binds o-Chlorophenylalanine Using Two Halogen Bonds. J.Mol.Biol., 434, 2022
6GOS	E. coli Microcin synthetase McbBCD complex with pro-MccB17 bound 分子名称: 1,2-ETHANEDIOL, Bacteriocin microcin B17, CHLORIDE ION, ... 著者 Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K. 登録日 2018-06-04 公開日 2019-01-30 最終更新日 2019-03-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison. Mol. Cell, 73, 2019
6DTF	Crystal structure of Haemophilus influenzae OppA complex with KKK 分子名称: LYS-LYS-LYS, Periplasmic oligopeptide-binding protein, SULFATE ION 著者 Tanaka, K.J, Pinkett, H.W. 登録日 2018-06-16 公開日 2018-11-28 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket. J. Biol. Chem., 294, 2019
8PI3	Cathepsin S Y132D mutant in complex with NNPI-C10 inhibitor 分子名称: 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ... 著者 Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. 登録日 2023-06-21 公開日 2024-06-05 最終更新日 2024-06-12 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins. Nat.Chem.Biol., 2024
7R0P	CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT F254I COMPLEXED WITH FE, NAD+, AND ETHYLENE GLYCOL 分子名称: 1,2-ETHANEDIOL, FE (III) ION, Lactaldehyde reductase, ... 著者 Shruthi, S, Tiila, R.K, Rikkert, W, Mikael, W. 登録日 2022-02-02 公開日 2022-10-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics. Febs J., 290, 2023
7LNN	E. coli S-adenosyl methionine transferase co-crystallized with guanosine-5'-imidotriphosphate 分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ... 著者 Tan, L.L, Jackson, C.J. 登録日 2021-02-08 公開日 2021-03-31 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases. Jacs Au, 1, 2021

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