PDB: 184249 件ウェブページステータス検索Chemie searchBIRD

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7S84	Crystal structure of CDK2 liganded with compound TW8972 分子名称: 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2 著者 Sun, L, Schonbrunn, E. 登録日 2021-09-17 公開日 2022-09-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14, 2023
7N79	O2-, PLP-dependent desaturase Plu4 holo-enzyme 分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... 著者 Hoffarth, E.R, Ryan, K.S. 登録日 2021-06-09 公開日 2021-10-06 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 A shared mechanistic pathway for pyridoxal phosphate-dependent arginine oxidases. Proc.Natl.Acad.Sci.USA, 118, 2021
1FD7	HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH BOUND LIGAND BMSC001 分子名称: HEAT-LABILE ENTEROTOXIN B CHAIN, N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE 著者 Fan, E, Merritt, E.A, Pickens, J, Ahn, M, Hol, W.G.J. 登録日 2000-07-19 公開日 2000-08-10 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives. Acta Crystallogr.,Sect.D, 57, 2001
7NB4	Structure of Mcl-1 complex with compound 1 分子名称: (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Induced myeloid leukemia cell differentiation protein Mcl-1, ... 著者 Dokurno, P, Surgenor, A.E, Kotschy, A. 登録日 2021-01-25 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6, 2021
7NB7	Structure of Mcl-1 complex with compound 6b 分子名称: (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 著者 Dokurno, P, Surgenor, A.E, Kotschy, A. 登録日 2021-01-25 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.82 Å) 主引用文献 The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6, 2021
5MKB	Maltodextrin binding protein MalE1 from L. casei BL23 without ligand 分子名称: MalE1 著者 Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. 登録日 2016-12-03 公開日 2017-07-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.698 Å) 主引用文献 Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr. Mol. Microbiol., 105, 2017
7ABL	HBV pgRNA T=4 NCP icosahedral symmetry 分子名称: Capsid protein 著者 Patel, N, Clark, S, Weis, E.U, Mata, C.P, Bohon, J, Farquhar, E, Ranson, N.A, Twarock, R, Stockley, P.G. 登録日 2020-09-07 公開日 2021-10-27 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 In vitro functional analysis of gRNA sites regulating assembly of hepatitis B virus. Commun Biol, 4, 2021
6S51	The crystal structure of glycogen phosphorylase in complex with 10 分子名称: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... 著者 Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. 登録日 2019-06-29 公開日 2020-02-19 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
7MXE	Ab1245 Fab in complex with BG505 SOSIP.664 and 8ANC195 Fab 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 G52K5 Fab heavy chain, ... 著者 Abernathy, M.E, Bjorkman, P.J. 登録日 2021-05-19 公開日 2021-10-27 最終更新日 2021-11-03 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Antibody elicited by HIV-1 immunogen vaccination in macaques displaces Env fusion peptide and destroys a neutralizing epitope. Npj Vaccines, 6, 2021
7YWI	Six DNA duplex bundle nanopore - State 2 分子名称: DNA (50-MER) 著者 Javed, A, Ahmad, K, Lanphere, C, Coveney, P, Howorka, S, Orlova, E.V. 登録日 2022-02-14 公開日 2023-05-24 最終更新日 2024-07-17 実験手法 ELECTRON MICROSCOPY (8 Å) 主引用文献 Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations. Nat Commun, 14, 2023
6PA7	The cryo-EM structure of the human DNMT3A2-DNMT3B3 complex bound to nucleosome. 分子名称: CHLORIDE ION, DNA (167-MER), DNA (cytosine-5)-methyltransferase 3A, ... 著者 Xu, T.H, Liu, M, Zhou, X.E, Liang, G, Zhao, G, Xu, H.E, Melcher, K, Jones, P.A. 登録日 2019-06-11 公開日 2020-06-17 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (2.94 Å) 主引用文献 Structure of nucleosome-bound DNA methyltransferases DNMT3A and DNMT3B. Nature, 586, 2020
6PJW	Adenylate kinase from Methanococcus igneus - AMP bound form 分子名称: ADENOSINE MONOPHOSPHATE, Adenylate kinase, MAGNESIUM ION 著者 Moon, S, Kim, J, Olmos, J.L, Bae, E, Phillips Jr, G.N. 登録日 2019-06-28 公開日 2020-01-22 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Adenylate kinase from Methanococcus igneus - AMP bound form To Be Published
7MX3	Crystal structure of human RIPK3 complexed with GSK'843 分子名称: 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine, Receptor-interacting serine/threonine-protein kinase 3 著者 Davies, K.A, Czabotar, P.E. 登録日 2021-05-18 公開日 2021-11-24 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3.23 Å) 主引用文献 Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis. Nat Commun, 12, 2021
7NFR	Fujian capmidlink domain in complex with Nb8194 分子名称: GLYCEROL, NB8194, Polymerase basic protein 2, ... 著者 Keown, J.R, Grimes, J.M, Fodor, E. 登録日 2021-02-07 公開日 2021-12-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
7NFQ	Fujian capmidlink domain in complex with Nb8193 分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Nb8193, ... 著者 Keown, J.R, Grimes, J.M, Fodor, E. 登録日 2021-02-07 公開日 2021-12-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
7NFT	Fujian capbinding domain in complex with Nb8208 分子名称: Nb8208, Polymerase basic protein 2, SULFATE ION 著者 Keown, J.R, Grimes, J.M, Fodor, E. 登録日 2021-02-07 公開日 2021-12-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3.14 Å) 主引用文献 Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
7N41	Crystal structure of TagA with UDP-ManNAc 分子名称: (2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase 著者 Martinez, O.E, Cascio, D, Clubb, R.T. 登録日 2021-06-03 公開日 2021-12-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA. J.Biol.Chem., 298, 2021
7NK0	Structure of the BIR1 domain of cIAP2 分子名称: Baculoviral IAP repeat-containing protein 3, ZINC ION 著者 Cossu, F, Milani, M, Mastrangelo, E, Mirdita, D. 登録日 2021-02-17 公開日 2022-01-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structure-based identification of a new IAP-targeting compound that induces cancer cell death inducing NF-kappa B pathway. Comput Struct Biotechnol J, 19, 2021
6S4K	The crystal structure of glycogen phosphorylase in complex with 12 分子名称: (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... 著者 Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. 登録日 2019-06-28 公開日 2020-02-19 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
6EF3	Yeast 26S proteasome bound to ubiquitinated substrate (4D motor state) 分子名称: 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, 26S proteasome regulatory subunit 6B homolog, ... 著者 de la Pena, A.H, Goodall, E.A, Gates, S.N, Lander, G.C, Martin, A. 登録日 2018-08-15 公開日 2018-10-17 最終更新日 2020-01-08 実験手法 ELECTRON MICROSCOPY (4.17 Å) 主引用文献 Substrate-engaged 26Sproteasome structures reveal mechanisms for ATP-hydrolysis-driven translocation. Science, 362, 2018
7AF2	Salmonella typhimurium neuraminidase mutant (D62G) 分子名称: GLYCEROL, PHOSPHATE ION, Sialidase 著者 Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vimr, E.R, Garman, E.F. 登録日 2020-09-19 公開日 2020-09-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (0.792 Å) 主引用文献 Salmonella typhimurium neuraminidase mutant (D62G) To Be Published
7ARE	DNA origami pointer object v2 分子名称: SCAFFOLD STRAND, STAPLE STRAND 著者 Thomas, M, Feigl, E, Kohler, F, Kube, M, Nagel-Yuksel, B, Willner, E.M, Funke, J.J, Gerling, T, Stommer, P, Honemann, M.N, Martin, T.G, Scheres, S.H.W, Dietz, H. 登録日 2020-10-24 公開日 2020-11-18 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (7.4 Å) 主引用文献 Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution. Nat Commun, 11, 2020
6P1L	Crystal structure of EGFR in complex with EAI045 分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... 著者 Heppner, D.E, Eck, M.J. 登録日 2019-05-20 公開日 2019-12-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
5XJR	Crystal Structure of the Gemin2-binding domain of SMN, Gemin2dN39 in Complex with SmD1(1-82)/D2/F/E/G from Human 分子名称: Gem-associated protein 2, Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, ... 著者 Yi, H, Zhang, R. 登録日 2017-05-04 公開日 2018-07-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (3.12 Å) 主引用文献 Negative cooperativity between Gemin2 and RNA provides insights into RNA selection and the SMN complex's release in snRNP assembly. Nucleic Acids Res., 2019
8CKB	Asymmetric reconstruction of the crAss001 virion 分子名称: Auxiliary capsid protein gp36, Cargo protein 1 gp45, Head fiber dimer protein gp29, ... 著者 Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A. 登録日 2023-02-16 公開日 2023-11-22 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (4.39 Å) 主引用文献 Structural atlas of the most abundant human gut virus Nature

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