PDB: 31489 件ウェブページステータス検索Chemie searchBIRD

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6H9Y	Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Outer capsid protein VP4, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose 著者 Ciges-Tomas, J.R, Gozalbo-Rovira, R, Vila-Vicent, S, Buesa, J, Santiso-Bellon, C, Monedero, V, Yebra, M.J, Rodriguez-Diaz, J, Marina, A. 登録日 2018-08-06 公開日 2019-06-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens. Plos Pathog., 15, 2019
8RYS	Human IL-1beta, unliganded 分子名称: Interleukin-1 beta, SULFATE ION 著者 Rondeau, J.-M, Lehmann, S. 登録日 2024-02-09 公開日 2024-03-06 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches. J.Med.Chem., 67, 2024
6BG2	Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain in AMP-PNP bound state 分子名称: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cGMP-dependent protein kinase 1 著者 Qin, L, Sankaran, B, Kim, C. 登録日 2017-10-27 公開日 2018-10-31 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain to be published
7L62	C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with L-fucose-(alpha 1-2)-D-galactose-(beta1-4)-D-glucose 分子名称: CALCIUM ION, Macrophage mannose receptor 1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose 著者 Weis, W.I, Feinberg, H. 登録日 2020-12-23 公開日 2021-02-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206. J.Biol.Chem., 296, 2021
7A17	Crystal structure of the 5-phosphatase domain of Synaptojanin1 bound to its substrate diC8-PI(3,4,5)P3 in complex with a nanobody 分子名称: (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, GLYCEROL, Isoform 2 of Synaptojanin-1, ... 著者 Paesmans, J, Galicia, C, Martin, E, Versees, W. 登録日 2020-08-12 公開日 2020-12-30 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.73 Å) 主引用文献 A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations. Elife, 9, 2020
6BFY	Crystal structure of enolase from Escherichia coli with bound 2-phosphoglycerate substrate 分子名称: 2-PHOSPHOGLYCERIC ACID, Enolase, GLYCEROL, ... 著者 Erlandsen, H, Wright, D, Krucinska, J. 登録日 2017-10-27 公開日 2018-10-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens. Biochemistry, 58, 2019
7Z3Y	Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013545 分子名称: 2-[4-(3,5-dimethylpyrazol-1-yl)-2,6-bis(fluoranyl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, GLYCEROL, N-glycosylase/DNA lyase, ... 著者 Scaletti, E.R, Stenmark, P. 登録日 2022-03-02 公開日 2023-03-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013545 To Be Published
6HAJ	Crystal structure of PAF - p-sulfonatocalix[8]arene complex 分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Pc24g00380 protein, sulfonato-calix[8]arene 著者 Alex, J.M, Rennie, M, Engilberge, S, Batta, G, Crowley, P.B. 登録日 2018-08-07 公開日 2019-02-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Calixarene-mediated assembly of a small antifungal protein. Iucrj, 6, 2019
7A3M	Synergistic stabilization of a double mutant in CI2 from an in-cell library screen 分子名称: Subtilisin-chymotrypsin inhibitor-2A 著者 Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. 登録日 2020-08-18 公開日 2020-12-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.01 Å) 主引用文献 Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli. Commun Biol, 4, 2021
8R5U	VIM-2 metallo-beta-lactamase in complex with benzebisheterocycle compound 14 分子名称: Beta-lactamase VIM-2, FORMIC ACID, ZINC ION, ... 著者 Hinchliffe, P, Spencer, J. 登録日 2023-11-17 公開日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes. J.Med.Chem., 67, 2024
7Z5B	Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013546 分子名称: 2-[4-(2,4-dimethyl-1~{H}-imidazol-5-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, N-glycosylase/DNA lyase, NICKEL (II) ION 著者 Scaletti, E, Stenmark, P. 登録日 2022-03-08 公開日 2023-03-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013546 To Be Published
7Z5K	Transcription factor MYF5 bound to non-symmetrical site 分子名称: DNA (5'-D(P*AP*CP*GP*CP*GP*TP*CP*AP*GP*CP*TP*GP*TP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*CP*AP*AP*CP*AP*GP*CP*TP*GP*AP*CP*GP*CP*GP*T)-3'), Myogenic factor 5 著者 Morgunova, E, Popov, A, Yin, Y, Taipale, J. 登録日 2022-03-09 公開日 2023-03-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Transcription factor MYF5 bound to non-symmetrical site To Be Published
6HAR	Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C 分子名称: 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ... 著者 Shahar, A, Cohen, I, Radisky, E, Papo, N. 登録日 2018-08-08 公開日 2019-02-06 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.497 Å) 主引用文献 Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin. J.Biol.Chem., 294, 2019
6BCI	Wild-type I-LtrI bound to non-cognate C4 substrate (pre-cleavage complex) 分子名称: CALCIUM ION, DNA (27-MER), Ribosomal protein 3/homing endonuclease-like fusion protein 著者 Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. 登録日 2017-10-20 公開日 2018-10-24 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases. Nucleic Acids Res., 46, 2018
7PX0	Drosophila melanogaster Aldehyde Oxidase 1 分子名称: AMMONIUM ION, Aldehyde oxidase 1, DI(HYDROXYETHYL)ETHER, ... 著者 Vilela-Alves, G, Mota, C, Romao, M.J. 登録日 2021-10-07 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Drosophila melanogaster's Aldehyde Oxidase 1: The First Invertebrate AOX structure To Be Published
8RMW	Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis. 分子名称: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, DI(HYDROXYETHYL)ETHER 著者 Mojanaga, O.O, Acharya, K.R, Lloyd, M.D. 登録日 2024-01-09 公開日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site. Biomolecules, 14, 2024
7Z5N	Crystal structure of DYRK1A in complex with CX-4945 分子名称: 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... 著者 Pustelny, K, Grygier, P, Golik, P, Dubin, G, Czarna, A. 登録日 2022-03-09 公開日 2023-03-22 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.77 Å) 主引用文献 Crystal structure DYRK1A in complex with CX-4945 To Be Published
6ZYK	Non-heme monooxygenase, ThoJ-Ni complex 分子名称: L(+)-TARTARIC ACID, Monooxygenase, NICKEL (II) ION 著者 Koehnke, J, Sikandar, A. 登録日 2020-08-02 公開日 2020-10-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Non-Heme Monooxygenase ThoJ Catalyzes Thioholgamide beta-Hydroxylation. Acs Chem.Biol., 15, 2020
6HB5	Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-cytidine 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine--tRNA ligase, ... 著者 De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. 登録日 2018-08-09 公開日 2019-04-17 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases. Eur.J.Med.Chem., 173, 2019
8R3B	Cocrystal form I of the Pent - sulfonato-calix[8]arene complex 分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller, sulfonato-calix[8]arene 著者 Flood, R.J, Crowley, P.B. 登録日 2023-11-08 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Multivalent Calixarene Complexation of a Designed Pentameric Lectin. Biomacromolecules, 25, 2024
7Q2I	Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Tetrahydrofurfurylamine 分子名称: 1-[(2R)-oxolan-2-yl]methanamine, Cholinephosphate cytidylyltransferase, Guanidinium 著者 Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. 登録日 2021-10-25 公開日 2022-11-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
7LD6	G150A Pseudomonas fluorescens isocyanide hydratase (G150A-1) at 274K, Phenix-refined 分子名称: Isonitrile hydratase InhA 著者 Su, Z, Dasgupta, M, Yoon, C.H, Wilson, M.A. 登録日 2021-01-12 公開日 2021-02-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters. Struct Dyn., 8, 2021
7Z3R	Crystal structure of the mouse leptin:LepR-IgCRH2 complex to 2.95 A resolution. 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Leptin, Leptin receptor 著者 Verstraete, K, Verschueren, K, Savvides, S.N, Tsirigotaki, A. 登録日 2022-03-02 公開日 2023-03-22 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.951 Å) 主引用文献 Mechanism of receptor assembly via the pleiotropic adipokine Leptin. Nat.Struct.Mol.Biol., 30, 2023
7Q2M	Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with but-3-yn-2-amine hydrochloride 分子名称: (2S)-but-3-yn-2-amine, Cholinephosphate cytidylyltransferase 著者 Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.F. 登録日 2021-10-25 公開日 2022-11-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors. To Be Published
7Z5R	Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035 分子名称: (7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION 著者 Davies, J.R, Scaletti, E, Stenmark, P. 登録日 2022-03-09 公開日 2023-03-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035 To Be Published

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