PDB: 45643 件ウェブページステータス検索Chemie searchBIRD

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7YQN	Crystal structure of Ecoli malate synthase G 分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... 著者 Wu, K.-P, Lu, Y.-C, Ko, T.-P. 登録日 2022-08-08 公開日 2023-03-29 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Cryo-EM reveals the structure and dynamics of a 723-residue malate synthase G. J.Struct.Biol., 215, 2023
4TW9	Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation 分子名称: CHLORIDE ION, Casein kinase I isoform delta, N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide, ... 著者 Richter, J, Bischof, J, Zaja, M, Kohlhof, H, Othersen, O, Vitt, D, Alscher, V, Pospiech, I, Garcia-Reyes, B, Berg, S, Leban, J, Knippschild, U. 登録日 2014-06-30 公開日 2014-07-30 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Difluoro-dioxolo-benzoimidazol-benzamides As Potent Inhibitors of CK1 delta and epsilon with Nanomolar Inhibitory Activity on Cancer Cell Proliferation. J.Med.Chem., 57, 2014
4TVC	N-terminally truncated dextransucrase DSR-E from Leuconostoc mesenteroides NRRL B-1299 in complex with gluco-oligosaccharides 分子名称: CALCIUM ION, Dextransucrase, GLYCEROL, ... 著者 Brison, Y, Remaud-Simeon, M, Mourey, L, Tranier, S. 登録日 2014-06-26 公開日 2015-07-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural Insights into the Carbohydrate Binding Ability of an alpha-(12) Branching Sucrase from Glycoside Hydrolase Family 70. J.Biol.Chem., 291, 2016
7Z64	A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ... 著者 Madhuprakash, J, Dalhus, B, Rohr, A.K, Bissaro, B, Vaaje-Kolstad, G, Sorlie, M, Eijsink, V.G. 登録日 2022-03-10 公開日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases To Be Published
5W44	Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 7a (SRI-29770) 分子名称: 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MAGNESIUM ION, MANGANESE (II) ION, ... 著者 Kumar, G, White, S.W. 登録日 2017-06-09 公開日 2018-01-10 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
6TP2	Crystal structure of Bacillus paralicheniformis alpha-amylase in complex with beta-cyclodextrin 分子名称: Amylase, CALCIUM ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ... 著者 Rozeboom, H.J, Janssen, D.B. 登録日 2019-12-12 公開日 2020-10-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Characterization of the starch surface binding site on Bacillus paralicheniformis alpha-amylase. Int.J.Biol.Macromol., 165, 2020
6SEC	Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cBon complex with ONPG 分子名称: 2-nitrophenyl beta-D-galactopyranoside, ACETATE ION, Beta-galactosidase, ... 著者 Rutkiewicz, M, Bujacz, A, Bujacz, G. 登録日 2019-07-29 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.768 Å) 主引用文献 Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
6TKL	Non-cleavable tsetse thrombin inhibitor in complex with human alpha-thrombin 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... 著者 Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. 登録日 2019-11-28 公開日 2020-11-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol, 28, 2021
7ZI0	Structure of human Smoothened in complex with cholesterol and SAG 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide, CHOLESTEROL, ... 著者 Byrne, E.F.X, Woolley, R.E, Ansell, B, Sansom, M.S.P, Newstead, S, Siebold, C. 登録日 2022-04-07 公開日 2022-06-15 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Patched 1 regulates Smoothened by controlling sterol binding to its extracellular cysteine-rich domain. Sci Adv, 8, 2022
6TKI	Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 12.7keV 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin heavy chain, ... 著者 Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. 登録日 2019-11-28 公開日 2020-11-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol, 28, 2021
6SEA	Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactose bound in deep mode 分子名称: ACETATE ION, Beta-galactosidase, SODIUM ION, ... 著者 Rutkiewicz, M, Bujacz, A, Bujacz, G. 登録日 2019-07-29 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.869 Å) 主引用文献 Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
7ZGM	Plant N-glycan specific alpha-1,3-mannosidase 分子名称: CALCIUM ION, Glycoside hydrolase family 92 protein, POTASSIUM ION, ... 著者 Basle, A, Crouch, L, Bolam, D. 登録日 2022-04-04 公開日 2022-09-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Plant N -glycan breakdown by human gut Bacteroides. Proc.Natl.Acad.Sci.USA, 119, 2022
7ZGS	Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2-phenylethan-1-amine 分子名称: 3-PHENYLPROPYLAMINE, Aspartate carbamoyltransferase, SODIUM ION, ... 著者 Wang, C, Zhang, B. 登録日 2022-04-04 公開日 2022-08-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.349 Å) 主引用文献 Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials. J.Am.Chem.Soc., 144, 2022
7ZP2	Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04 分子名称: Aspartate carbamoyltransferase, SODIUM ION, SULFATE ION, ... 著者 Wang, C, Zhang, B, Groves, M.R. 登録日 2022-04-26 公開日 2022-08-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.292 Å) 主引用文献 Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials. J.Am.Chem.Soc., 144, 2022
7ZST	Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01 分子名称: 2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide, Aspartate carbamoyltransferase, GLYCEROL, ... 著者 Wang, C, Zhang, B, Groves, M.R. 登録日 2022-05-08 公開日 2022-08-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials. J.Am.Chem.Soc., 144, 2022
6SE9	Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactose bound in shallow mode 分子名称: ACETATE ION, Beta-galactosidase, FORMIC ACID, ... 著者 Rutkiewicz, M, Bujacz, A, Bujacz, G. 登録日 2019-07-29 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.965 Å) 主引用文献 Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
7ZL7	Human GABARAP in complex with stapled peptide Pen8-ortho 分子名称: CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, ORTHO-XYLENE, ... 著者 Ueffing, A, Brown, H, Willbold, D, Kritzer, J.A, Weiergraeber, O.H. 登録日 2022-04-14 公開日 2022-08-31 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structure-Based Design of Stapled Peptides That Bind GABARAP and Inhibit Autophagy. J.Am.Chem.Soc., 144, 2022
6TSN	Marasmius oreades agglutinin (MOA), papain back.swap W208Q-Q276W variant 分子名称: 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ... 著者 Cordara, G, Manna, D, Krengel, U. 登録日 2019-12-20 公開日 2020-07-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti . Curr Res Struct Biol, 2, 2020
6T2Q	Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16, ... 著者 Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. 登録日 2019-10-09 公開日 2020-07-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
6T57	Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative 分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... 著者 Ngo, K, Abazi, N, Heine, A, Klebe, G. 登録日 2019-10-15 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative To Be Published
4R0C	Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology 分子名称: AbgT putative transporter family, DODECYL-BETA-D-MALTOSIDE, SODIUM ION, ... 著者 Su, C.-C, Bolla, J.R, Yu, E.W. 登録日 2014-07-30 公開日 2015-04-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.963 Å) 主引用文献 Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology. Nat Commun, 6, 2015
5T4E	Human DPP4 in complex with ligand 19a 分子名称: 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Scapin, G. 登録日 2016-08-29 公開日 2016-10-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors. Bioorg.Med.Chem., 24, 2016
5SVP	Anomalous sulfur signal reveals the position of agonist 2-methylthio-ATP bound to the ATP-gated human P2X3 ion channel in the desensitized state 分子名称: 1,2-ETHANEDIOL, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. 登録日 2016-08-07 公開日 2016-09-28 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3.298 Å) 主引用文献 X-ray structures define human P2X3 receptor gating cycle and antagonist action. Nature, 538, 2016
5SVL	Crystal structure of the ATP-gated human P2X3 ion channel in the ATP-bound, closed (desensitized) state 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. 登録日 2016-08-06 公開日 2016-10-05 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 X-ray structures define human P2X3 receptor gating cycle and antagonist action. Nature, 538, 2016
5SVS	Anomalous Mn2+ signal reveals a divalent cation-binding site in the head domain of the ATP-gated human P2X3 ion channel 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... 著者 Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. 登録日 2016-08-07 公開日 2016-09-28 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (4.025 Å) 主引用文献 X-ray structures define human P2X3 receptor gating cycle and antagonist action. Nature, 538, 2016

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