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

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6TJC	Crystal structure of the computationally designed Cake3 protein 分子名称: Cake3, GLYCEROL, PHOSPHATE ION 著者 Laier, I, Mylemans, B, Voet, A.R.D, Noguchi, H. 登録日 2019-11-26 公開日 2020-05-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural plasticity of a designer protein sheds light on beta-propeller protein evolution. Febs J., 288, 2021
6T4S	3C-like protease from Southampton virus complexed with FMOPL000013a. 分子名称: 2-(trifluoromethoxy)benzoic acid, Genome polyprotein 著者 Guo, J, Cooper, J.B. 登録日 2019-10-14 公開日 2020-08-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
6TJG	Crystal structure of the computationally designed Cake8 protein 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cake8 著者 Laier, I, Mylemans, B, Noguchi, H, Voet, A.R.D. 登録日 2019-11-26 公開日 2020-05-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural plasticity of a designer protein sheds light on beta-propeller protein evolution. Febs J., 288, 2021
5N83	Structure of the distal domain of mouse adenovirus 2 fibre, methylmercury chloride derivative 分子名称: Fiber, MERCURY (II) ION 著者 Singh, A.K, van Raaij, M.J. 登録日 2017-02-22 公開日 2018-03-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.76 Å) 主引用文献 Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre. J. Gen. Virol., 99, 2018
6T5D	3C-like protease from Southampton virus complexed with FMOPL000014a. 分子名称: 2-phenylmethoxyaniline, Genome polyprotein 著者 Guo, J, Cooper, J.B. 登録日 2019-10-16 公開日 2020-08-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors. J Struct Biol X, 4, 2020
5N8I	Serial Cu nitrite reductase structures at elevated cryogenic temperature, 100K reference dataset. 分子名称: COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION 著者 Horrell, S, Kekilli, D, Hough, M, Strange, R. 登録日 2017-02-23 公開日 2017-07-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase. IUCrJ, 4, 2017
7BAF	Crystal structure of PAFB in complex with zinc 分子名称: ACETATE ION, Antifungal protein, ZINC ION 著者 Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. 登録日 2020-12-15 公開日 2021-03-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.123 Å) 主引用文献 Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene. J.Struct.Biol., 213, 2021
6TLH	Crystal structure of mouse KANK3 ankyrin repeats 分子名称: FORMIC ACID, GLYCEROL, KN motif and ankyrin repeat domain-containing protein 3 著者 Khan, R, Singh, A.K, Goult, B.T. 登録日 2019-12-02 公開日 2020-12-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of mouse KANK3 ankyrin repeats To be published
5NA8	Structure of DPP III from Bacteroides thetaiotaomicron in closed form 分子名称: Putative dipeptidyl-peptidase III, SULFATE ION, ZINC ION 著者 Sabljic, I, Luic, M. 登録日 2017-02-27 公開日 2017-11-15 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.29 Å) 主引用文献 Crystal structure of dipeptidyl peptidase III from the human gut symbiont Bacteroides thetaiotaomicron. PLoS ONE, 12, 2017
7BAE	Crystal structure of PAFB 分子名称: Antifungal protein 著者 Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. 登録日 2020-12-15 公開日 2021-03-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene. J.Struct.Biol., 213, 2021
6T7F	RCR E3 ligase E2-Ubiquitin transthiolation intermediate 分子名称: 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide, E3 ubiquitin-protein ligase MYCBP2, Polyubiquitin-C, ... 著者 Mabbitt, P.D, Virdee, S. 登録日 2019-10-21 公開日 2020-08-05 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Structural basis for RING-Cys-Relay E3 ligase activity and its role in axon integrity. Nat.Chem.Biol., 16, 2020
7C20	Crystal structure of Rabies virus (Nishigahara strain) phosphoprotein C-terminal domain (K214A) 分子名称: Phosphoprotein 著者 Nomai, T, Maenaka, K, Ose, T. 登録日 2020-05-06 公開日 2021-03-17 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural comparison of the C-terminal domain of functionally divergent lyssavirus P proteins. Biochem.Biophys.Res.Commun., 529, 2020
6TMA	VIM-2_1dj- Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases 分子名称: Beta-lactamase class B VIM-2, CHLORIDE ION, HYDROXIDE ION, ... 著者 Leiros, H.-K.S. 登録日 2019-12-03 公開日 2020-09-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases. Bioorg.Med.Chem., 28, 2020
5NBU	Crystal structure of native alpha-1-antitrypsin with seven stabilising mutations 分子名称: Alpha-1-antitrypsin, GLYCEROL, OXAMIC ACID 著者 Huntington, J.A, Pomowski, A, Johnson, D.J.D. 登録日 2017-03-02 公開日 2018-03-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 CRYSTAL STRUCTURE OF THE Z VARIANT OF ALPHA-1-ANTITRYPSIN REVEALS STRUCTURAL AND DYNAMICAL CHANGES AND SUPPORTS A C-TERMINAL DOMAIN SWAP MECHANISM OF POLYMERIZATION To Be Published
7BBC	Joint X-ray/neutron room temperature structure of perdeuterated PLL lectin in complex with perdeuterated L-fucose 分子名称: PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose 著者 Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. 登録日 2020-12-17 公開日 2021-03-24 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION 主引用文献 Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions. Structure, 29, 2021
6T8N	Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 分子名称: 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ... 著者 Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. 登録日 2019-10-24 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 To Be Published
5NE1	L2 class A serine-beta-lactamase in complex with cyclic boronate 2 分子名称: (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Beta-lactamase, TRIETHYLENE GLYCOL 著者 Hinchliffe, P, Calvopina, K, Spencer, J. 登録日 2017-03-09 公開日 2017-09-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates. Mol. Microbiol., 106, 2017
7BY9	Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH) complexed with Oxaloacetic Acid (OAA) and Nicotinamide Adenine Dinucleotide (NAD) 分子名称: Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXALOACETATE ION 著者 Shimozawa, Y, Nakamura, T, Himiyama, T, Nishiya, Y. 登録日 2020-04-22 公開日 2021-03-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural analysis and reaction mechanism of malate dehydrogenase from Geobacillus stearothermophilus. J.Biochem., 170, 2021
5NC0	The 0.91 A resolution structure of the L16G mutant of cytochrome c prime from Alcaligenes xylosoxidans, complexed with nitric oxide 分子名称: 1,2-ETHANEDIOL, Cytochrome c', HEME C, ... 著者 Strange, R, Hough, M, Antonyuk, S, Rustage, N. 登録日 2017-03-02 公開日 2018-01-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.91 Å) 主引用文献 Distinguishing Nitro vs Nitrito Coordination in Cytochrome c' Using Vibrational Spectroscopy and Density Functional Theory. Inorg Chem, 56, 2017
6T9W	Crystal structure of formate dehydrogenase FDH2 D222A/Q223R enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and azide. 分子名称: AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. 登録日 2019-10-29 公開日 2020-08-05 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice Chemcatchem, 2020
6T77	Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution 分子名称: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. 登録日 2019-10-21 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens. Bioorg.Med.Chem., 30, 2021
6TB6	Crystal structure of formate dehydrogenase FDH2 D222S/Q223R enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and azide. 分子名称: AZIDE ION, COBALT (II) ION, Formate dehydrogenase, ... 著者 Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. 登録日 2019-11-01 公開日 2020-08-05 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice Chemcatchem, 2020
5NE5	Crystal structure of family 47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with kifunensine 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, KIFUNENSINE, ... 著者 Males, A, Davies, G.J. 登録日 2017-03-09 公開日 2017-03-29 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach. Chembiochem, 18, 2017
7BYA	Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH) complexed with Oxaloacetic Acid (OAA) and Adenosine 5'-Diphosphoribose (APR) 分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Malate dehydrogenase, OXALOACETATE ION 著者 Shimozawa, Y, Nakamura, T, Himiyama, T, Nishiya, Y. 登録日 2020-04-22 公開日 2021-03-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural analysis and reaction mechanism of malate dehydrogenase from Geobacillus stearothermophilus. J.Biochem., 170, 2021
6TJQ	Crystal Structure of Recombinant GBA in Complex with 2-Deoxy-2-fluoro-beta-D-glucopyranoside 分子名称: (2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Rowland, R.J, Davies, G.J. 登録日 2019-11-26 公開日 2020-06-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis. Acta Crystallogr D Struct Biol, 76, 2020

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