PDB: 45118 件ウェブページステータス検索Chemie searchBIRD

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5RD6	PanDDA analysis group deposition -- Endothiapepsin ground state model 28 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RDN	PanDDA analysis group deposition -- Endothiapepsin ground state model 47 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
4B2H	COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS 分子名称: 3-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propylcarbamic acid, CHLORIDE ION, DODECIN, ... 著者 Yu, Y, Heidel, B, Parapugna, T.L, Wenderhold-Reeb, S, Song, B, Schoenherr, H, Grininger, M, Noell, G. 登録日 2012-07-16 公開日 2013-05-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The Flavoprotein Dodecin as a Redox Probe for Electron Transfer Through DNA. Angew.Chem.Int.Ed.Engl., 52, 2013
4B30	Structure of the mutant V44A of the fluorescent protein KillerRed 分子名称: CHLORIDE ION, GLYCEROL, KILLERRED, ... 著者 Carpentier, P, de Rosny, E. 登録日 2012-07-19 公開日 2013-01-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Gfp-Like Phototransformation Mechanisms in the Cytotoxic Fluorescent Protein Killerred Unraveled by Structural and Spectroscopic Investigations. J.Am.Chem.Soc., 134, 2012
5UXY	The crystal structure of a DegV family protein from Eubacterium eligens loaded with heptadecanoic acid to 1.80 Angstrom resolution (ALTERNATIVE REFINEMENT OF PDB 3FDJ with HEPTADECANOIC acid) 分子名称: ACETIC ACID, DegV family protein, SODIUM ION, ... 著者 Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O. 登録日 2017-02-23 公開日 2018-11-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution J.Biol.Chem., 2018
5VB5	X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide 分子名称: N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ... 著者 Li, X. 登録日 2017-03-28 公開日 2017-06-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.226 Å) 主引用文献 Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
5V9F	Structure of the H477R variant of rat cytosolic PEPCK in complex with beta sulfopyruvate and GTP. 分子名称: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ... 著者 Holyoak, T, Cui, D.S. 登録日 2017-03-23 公開日 2017-04-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Asymmetric Anchoring Is Required for Efficient Omega-Loop Opening and Closing in Cytosolic Phosphoenolpyruvate Carboxykinase. Biochemistry, 56, 2017
5V8E	Structure of Bacillus cereus PatB1 分子名称: Bacillus cereus PatB1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... 著者 Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. 登録日 2017-03-21 公開日 2017-10-18 最終更新日 2017-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides. Nat. Chem. Biol., 14, 2018
5V97	Structure of the H477R variant of rat cytosolic PEPCK in complex with GTP. 分子名称: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ... 著者 Holyoak, T, Cui, D.S. 登録日 2017-03-23 公開日 2017-04-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Asymmetric Anchoring Is Required for Efficient Omega-Loop Opening and Closing in Cytosolic Phosphoenolpyruvate Carboxykinase. Biochemistry, 56, 2017
5VFZ	Integrase from mycobacterium phage Brujita 分子名称: ACETATE ION, GLYCEROL, Gp33, ... 著者 VanDemark, A.P, Lunt, B, Hatfull, G.F. 登録日 2017-04-10 公開日 2018-04-18 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.847 Å) 主引用文献 Integrase from mycobacterium phage Brujita To Be Published
1H18	Pyruvate Formate-Lyase (E.coli) in complex with Pyruvate 分子名称: FORMATE ACETYLTRANSFERASE 1, L-TREITOL, PYRUVIC ACID, ... 著者 Becker, A, Kabsch, W. 登録日 2002-07-04 公開日 2002-11-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 X-Ray Structure of Pyruvate Formate-Lyase in Complex with Pyruvate and Coa.How the Enzyme Uses the Cys-418 Thiyl Radical for Pyruvate Cleavage J.Biol.Chem., 277, 2002
1H16	Pyruvate Formate-Lyase (E.coli) in complex with Pyruvate and CoA 分子名称: COENZYME A, FORMATE ACETYLTRANSFERASE 1, L-TREITOL, ... 著者 Becker, A, Kabsch, W. 登録日 2002-07-03 公開日 2002-11-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 X-Ray Structure of Pyruvate Formate-Lyase in Complex with Pyruvate and Coa.How the Enzyme Uses the Cys-418 Thiyl Radical for Pyruvate Cleavage J.Biol.Chem., 277, 2002
5VJO	Complex between HyHEL10 Fab fragment heavy chain mutant I29F and Pekin duck egg lysozyme isoform I (DEL-I) 分子名称: CHLORIDE ION, HyHEL10 heavy chain Fab fragment carrying I29F mutation., HyHEL10 light chain Fab fragment, ... 著者 Langley, D.B, Christ, D. 登録日 2017-04-19 公開日 2018-04-11 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Germinal center antibody mutation trajectories are determined by rapid self/foreign discrimination. Science, 360, 2018
1H17	Pyruvate Formate-Lyase (E.coli) in complex with CoA and the substrate analog oxamate 分子名称: COENZYME A, FORMATE ACETYLTRANSFERASE 1, L-TREITOL, ... 著者 Becker, A, Kabsch, W. 登録日 2002-07-03 公開日 2002-11-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 X-Ray Structure of Pyruvate Formate-Lyase in Complex with Pyruvate and Coa.How the Enzyme Uses the Cys-418 Thiyl Radical for Pyruvate Cleavage J.Biol.Chem., 277, 2002
5VI0	Pseudomonas fluorescens alkylpurine DNA glycosylase AlkC bound to DNA containing an abasic site analog 分子名称: DNA (5'-D(*AP*AP*GP*AP*CP*TP*TP*GP*GP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*T)-3'), SODIUM ION, ... 著者 Shi, R, Eichman, B.F. 登録日 2017-04-13 公開日 2017-10-25 最終更新日 2019-11-27 実験手法 X-RAY DIFFRACTION (2.396 Å) 主引用文献 Selective base excision repair of DNA damage by the non-base-flipping DNA glycosylase AlkC. EMBO J., 37, 2018
6QWU	4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 5.5 with Mn2+ and CoA. 分子名称: COENZYME A, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... 著者 Nguyen, M.C, Mourey, L, Pedelacq, J.D. 登録日 2019-03-06 公開日 2020-03-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases. Febs J., 287, 2020
4TVT	New ligand for thaumatin discovered using acoustic high throughput screening 分子名称: ASCORBIC ACID, L(+)-TARTARIC ACID, SODIUM ION, ... 著者 Teplitsky, E, Joshi, K, Ericson, D.L, Scalia, A, Mullen, J.D, Sweet, R.M, Soares, A.S. 登録日 2014-06-28 公開日 2014-07-16 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density. J.Struct.Biol., 191, 2015
6QLL	Crystal structure of F181H UbiX in complex with FMN and dimethylallyl monophosphate 分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, Flavin prenyltransferase UbiX, ... 著者 Marshall, S.A, Leys, D. 登録日 2019-02-01 公開日 2019-06-05 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry. Nat Commun, 10, 2019
5ZOU	Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH6 at 288 K (1) 分子名称: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION 著者 Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T. 登録日 2018-04-16 公開日 2018-12-19 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5E1I	Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T210 分子名称: (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2, ... 著者 Kumar, P, Ginell, S.L, Lamichhane, G. 登録日 2015-09-29 公開日 2016-10-12 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.003 Å) 主引用文献 Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
6QN4	Death-associated Protein Kinase 1 (DAPK1) catalytic and auto-regulatory domains with S289E and S308E mutations 分子名称: ACETATE ION, Death-associated protein kinase 1, GLYCEROL, ... 著者 Huart, A.-S, Wilmanns, M. 登録日 2019-02-08 公開日 2019-08-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Molecular mechanisms behind DAPK regulation: how phosphorylation switches work To Be Published
5DMU	Structure of the NHEJ polymerase from Methanocella paludicola 分子名称: 1,2-ETHANEDIOL, GLYCEROL, NHEJ Polymerase, ... 著者 Brissett, N.C, Bartlett, E.J, Doherty, A.J. 登録日 2015-09-09 公開日 2015-10-07 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.949 Å) 主引用文献 Molecular basis for DNA strand displacement by NHEJ repair polymerases. Nucleic Acids Res., 44, 2016
5ZMW	Crystal structure of the E309Q mutant of SR Ca2+-ATPase in E2(TG) 分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... 著者 Ogawa, H, Hirata, A, Tsueda, J, Toyoshima, C. 登録日 2018-04-06 公開日 2019-04-03 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Mechanism of the E2 to E1 transition in Ca2+pump revealed by crystal structures of gating residue mutants. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5DRG	Green/cyan WasCFP at pH 10.0 分子名称: GLYCEROL, Green/cyan WasCFP_pH10 at pH 10.0, SODIUM ION 著者 Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V. 登録日 2015-09-15 公開日 2016-07-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 Crystal structure of pH and T dependent green fluorescent protein WasCFP with Trp based chromophore Russ.J.Bioorganic Chem., 42 (6), 2016
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

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