PDB: 31171 件ウェブページステータス検索Chemie searchBIRD

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7R3T	Crystal structure of the Dimeric C-terminal Big_2-CBM56 domains from Paenibacillus illinoisensis (Bacillus circulans IAM1165) beta-1,3-glucanase H 分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Beta-1,3-glucanase bglH, CHLORIDE ION, ... 著者 Najmudin, S, Venditto, I, Fontes, C.M.G.A, Bule, P. 登録日 2022-02-07 公開日 2023-02-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.109 Å) 主引用文献 Structural and biochemical characterization of C-terminal Big_2-CBM56 domains of Paenibacillus illinoisensis IAM1165 beta-1,3-glucanase H and Paenibacillus sp CBM56 To be published
7ACW	LID/HID (LMW SLP and HMW SLP interacting domains) from C. difficile (R7404 strain) 分子名称: S-layer protein 著者 Barwinska-Sendra, A, Lanzoni-Mangutchi, P, Basle, A, Salgado, P.S. 登録日 2020-09-11 公開日 2022-03-09 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure and assembly of the S-layer in C. difficile. Nat Commun, 13, 2022
6B7F	Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3,3-dimethyl-4-(5-vinyl-1H-imidazol-1-yl)isochroman-1-one 分子名称: (4R)-4-(5-ethenyl-1H-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ... 著者 Proudfoot, A.W, Bussiere, D, Lingel, A. 登録日 2017-10-03 公開日 2017-12-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.562 Å) 主引用文献 High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
7R2U	CRYSTAL STRUCTURE OF AS-ISOLATED Q262N MUTANT OF THREE-DOMAIN HEME-CU NITRITE REDUCTASE FROM RALSTONIA PICKETTII 分子名称: COPPER (II) ION, Copper-containing nitrite reductase, HEME C 著者 Petchyam, N, Antonyuk, S, Hasnain, S.S. 登録日 2022-02-05 公開日 2023-02-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural and biochemical studies of three-domain haem CuNiR from Ralstonia pickettii mutants To Be Published
6FAM	Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-2-aminodeoxymannojirimycin 分子名称: ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose, ... 著者 Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J. 登録日 2017-12-15 公開日 2018-03-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases. Chemistry, 24, 2018
7A9G	Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Mycobacterium tuberculosis with intermediate 2-acetyl-thiamine diphosphate 分子名称: 1-deoxy-D-xylulose-5-phosphate synthase,1-deoxy-D-xylulose-5-phosphate synthase, 2-ACETYL-THIAMINE DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... 著者 Gierse, R.M, Reddem, E, Grooves, M.R. 登録日 2020-09-02 公開日 2022-03-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 First crystal structures of 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis indicate a distinct mechanism of intermediate stabilization. Sci Rep, 12, 2022
7R3U	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Snee, M, Katariya, M, Leys, D, Levy, C. 登録日 2022-02-07 公開日 2023-02-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
6JGR	Crystal structure of barley exohydrolaseI W434Y in complex with 4'-nitrophenyl thiolaminaribioside 分子名称: 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... 著者 Luang, S, Streltsov, V.A, Hrmova, M. 登録日 2019-02-14 公開日 2020-08-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
6XVP	Crystal structure of Neprilysin in complex with Sampatrilat. 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ... 著者 Cozier, G.E, Acharya, K.R, Sharma, U. 登録日 2020-01-22 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme. J.Med.Chem., 63, 2020
7QZM	ATAD2 in complex with FragLite28 分子名称: 1,2-ETHANEDIOL, 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, ATPase family AAA domain-containing protein 2, ... 著者 Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. 登録日 2022-01-31 公開日 2023-03-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
6FBB	Crystal structure of 14-3-3 sigma in complex with wild-type Shroom3 分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... 著者 Leysen, S, Meijer, F.A, Milroy, L.G, Ottmann, C. 登録日 2017-12-18 公開日 2018-03-14 最終更新日 2018-05-09 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Characterization of Coding/Noncoding Variants forSHROOM3in Patients with CKD. J. Am. Soc. Nephrol., 29, 2018
6XX3	Crystal structure of the c-Src SH3 domain H122R-Q128E mutant in complex with Cu(II) at pH 6.5 co-crystallized with methyl beta-cyclodextrin 分子名称: COPPER (II) ION, Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, Proto-oncogene tyrosine-protein kinase Src 著者 Camara-Artigas, A. 登録日 2020-01-26 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase. J.Biol.Inorg.Chem., 25, 2020
6BDA	Wild-type I-OnuI bound to A3G substrate (post-cleavage complex) 分子名称: Cleaved Cognate DNA strand, +11 sense, Cleaved cognate DNA strand, ... 著者 Brown, C, Zhang, K, Laforet, M, McMurrough, T, Gloor, G.B, Edgell, D.R, Junop, M. 登録日 2017-10-22 公開日 2018-10-24 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Wild-type I-OnuI bound to A3G substrate (post-cleavage complex) To Be Published
7QZY	ATAD2 in complex with FragLite29 分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one, ATPase family AAA domain-containing protein 2, ... 著者 Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. 登録日 2022-02-01 公開日 2023-03-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
7QYK	ATAD2 in complex with FragLite18 分子名称: (4-bromanylpyridin-2-yl)methanol, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... 著者 Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. 登録日 2022-01-28 公開日 2023-03-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
6JIE	YaeO bound to Magnesium from Vibrio cholerae O395 分子名称: MAGNESIUM ION, YaeO 著者 Pal, K, Yadav, M, Sen, U. 登録日 2019-02-20 公開日 2019-12-11 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Vibrio cholerae YaeO is a Structural Homologue of RNA Chaperone Hfq that Inhibits Rho-dependent Transcription Termination by Dissociating its Hexameric State. J.Mol.Biol., 431, 2019
6FBN	Human Methionine Adenosyltransferase II mutant (Q113A) 分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... 著者 Panmanee, J, Antonyuk, S.V, Hasnain, S.S. 登録日 2017-12-19 公開日 2019-01-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
6ZRB	Crystal structure of SMYD3 conjugate with piperidine-based covalent inhibitor EM127 分子名称: ACETATE ION, Histone-lysine N-methyltransferase SMYD3, N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide, ... 著者 Talibov, V.O, Eriksson, D. 登録日 2020-07-13 公開日 2022-07-27 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Discovery of the 4-aminopiperidine-based compound EM127 for the site-specific covalent inhibition of SMYD3 Eur.J.Med.Chem., 2022
6JIK	Aspergillus fumigatus Rho1 GsGTP 分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1 著者 Bartual, S.G, Van Aalten, D.M.F. 登録日 2019-02-22 公開日 2020-09-02 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Aspergillus fumigatus Rho1 gSGTP complex To Be Published
8S33	Malic semialdehyde dehydrogenase (MSA-DH) from Acinetobacter baumannii 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Succinate-semialdehyde dehydrogenase [NAD(P)+] 著者 Piskol, F, Lukat, P, Blankenfeldt, W, Jahn, D, Moser, J. 登録日 2024-02-19 公開日 2024-08-14 最終更新日 2024-09-11 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Biochemical and structural elucidation of the L-carnitine degradation pathway of the human pathogen Acinetobacter baumannii . Front Microbiol, 15, 2024
6XY4	Structural insight into sheep-pox virus mediated inhibition of apoptosis 分子名称: Activator of apoptosis harakiri, anti-apoptotic membrane protein 著者 Suraweera, C.D, Hinds, M.G, Kvansakul, M. 登録日 2020-01-29 公開日 2020-07-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.04623151 Å) 主引用文献 Crystal structures of the sheeppox virus encoded inhibitor of apoptosis SPPV14 bound to the proapoptotic BH3 peptides Hrk and Bax. Febs Lett., 594, 2020
6FBU	Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli (E2Q) in complex with AP-site containing DNA substrate 分子名称: ACETATE ION, DNA (5'-D(P*CP*CP*AP*GP*GP*AP*(PED)P*GP*AP*AP*GP*CP*C)-3'), DNA (5'-D(P*GP*GP*CP*TP*TP*CP*AP*TP*CP*CP*TP*G)-3'), ... 著者 Pomyalov, S, Lansky, S, Golan, G, Zharkov, D.O, Grollman, A.P, Shoham, G. 登録日 2017-12-19 公開日 2019-01-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli (E2Q) in complex with AP-site containing DNA substrate To Be Published
6FC3	Crystal structure of the eIF4E-p20 complex from Saccharomyces cerevisiae 分子名称: Cap-associated protein CAF20, Eukaryotic translation initiation factor 4E, GLYCEROL, ... 著者 Gruener, S, Valkov, E. 登録日 2017-12-20 公開日 2018-06-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural motifs in eIF4G and 4E-BPs modulate their binding to eIF4E to regulate translation initiation in yeast. Nucleic Acids Res., 46, 2018
6XZ3	Crystal structure of TLNRD1 4-helix bundle 分子名称: 1,2-ETHANEDIOL, Talin rod domain-containing protein 1 著者 Cowell, A, Singh, A.K, Brown, D.G, Goult, B.T. 登録日 2020-02-01 公開日 2020-05-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Talin rod domain-containing protein 1 (TLNRD1) is a novel actin-bundling protein which promotes filopodia formation. J.Cell Biol., 220, 2021
8RII	Structure of E166A BlaC from Mycobacterium tuberculosis at pH 6.5 分子名称: Beta-lactamase 著者 Sun, J, Bruenle, S, Ubbink, M. 登録日 2023-12-18 公開日 2024-08-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 A low-barrier proton shared between two aspartates acts as a conformational switch that changes the substrate specificity of the beta-lactamase BlaC. Int.J.Biol.Macromol., 278, 2024

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