PDB: 45459 件ウェブページステータス検索Chemie searchBIRD

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8AQ0	Crystal structure of L-N-Carbamoylase from Sinorhizobium meliloti mutant L217G/F329C 分子名称: (2~{S})-2-(aminocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid, CHLORIDE ION, FE (III) ION, ... 著者 Rozeboom, H.J, Mayer, C. 登録日 2022-08-11 公開日 2022-11-16 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Selecting Better Biocatalysts by Complementing Recoded Bacteria. Angew.Chem.Int.Ed.Engl., 62, 2023
8AMK	Crystal structure of AUGUGGCAU duplex crystallized in the presence of calcium ions 分子名称: RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3') 著者 Kiliszek, A, Rypniewski, W. 登録日 2022-08-03 公開日 2022-11-23 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair. Rna, 29, 2022
2MC3	NMR solution structure of the winged-helix domain from MUS81 structure-specific endonuclease 分子名称: MUS81 endonuclease homolog (Yeast), isoform CRA_b 著者 Harris, R, Fadden, A, Mcdonald, N.Q. 登録日 2013-08-14 公開日 2013-09-18 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 A winged helix domain in human MUS81 binds DNA and modulates the endonuclease activity of MUS81 complexes. Nucleic Acids Res., 41, 2013
6YOW	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521 分子名称: 14-3-3 protein sigma, 4-(methylsulfonyl)benzaldehyde, p65pS45 著者 Wolter, M, Ottmann, C. 登録日 2020-04-15 公開日 2020-09-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering. Angew.Chem.Int.Ed.Engl., 59, 2020
8AML	Crystal structure of AUGUGGCAU duplex with cadmium ions 分子名称: CADMIUM ION, RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3') 著者 Kiliszek, A, Rypniewski, W. 登録日 2022-08-03 公開日 2022-11-23 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair. Rna, 29, 2022
6YQ0	Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis 分子名称: (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,2-ETHANEDIOL, Monooxygenase, ... 著者 Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. 登録日 2020-04-16 公開日 2020-09-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway. Acs Chem.Biol., 15, 2020
8AID	Crystal structure of N-terminally truncated PA4183 from P. aeruginosa PAO1 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, PA4183 著者 Popp, M.A, Blankenfeldt, W. 登録日 2022-07-26 公開日 2022-11-30 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Structure of N-terminally truncated PA4183 from P. aeruginosa PAO1 To Be Published
6Q23	Crystal structure of human 1G01 Fab in complex with influenza virus neuraminidase from A/California/04/2009 (H1N1) 分子名称: 1G01 Fab IgG1 heavy chain, 1G01 Fab kappa light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Zhu, X, Wilson, I.A. 登録日 2019-08-06 公開日 2019-10-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.27 Å) 主引用文献 Broadly protective human antibodies that target the active site of influenza virus neuraminidase. Science, 366, 2019
6FJL	Structure of IbpS from Dickeya dadantii 分子名称: ABC-type Fe3+ transport system, periplasmic component, ACETATE ION, ... 著者 Gueguen-Chaignon, V, Condemine, G, Terradot, L. 登録日 2018-01-22 公開日 2019-02-06 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.70000041 Å) 主引用文献 A secreted metal-binding protein protects necrotrophic phytopathogens from reactive oxygen species. Nat Commun, 10, 2019
6YRP	Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31) 分子名称: 1,2-ETHANEDIOL, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ACETATE ION, ... 著者 Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. 登録日 2020-04-20 公開日 2020-09-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 208, 2020
6D12	Crystal structure of C-terminal xRRM domain of human Larp7 bound to 7SK stem-loop 4 RNA 分子名称: La-related protein 7, human 7SK RNA stem-loop 4 著者 Eichhorn, C.D, Cascio, D, Sawaya, M.R, Feigon, J. 登録日 2018-04-11 公開日 2018-06-27 最終更新日 2020-01-15 実験手法 X-RAY DIFFRACTION (2.205 Å) 主引用文献 Structural basis for recognition of human 7SK long noncoding RNA by the La-related protein Larp7. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6YPL	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-037 分子名称: (2-methylsulfonylphenyl)methanol, 14-3-3 protein sigma, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2020-04-16 公開日 2020-09-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering. Angew.Chem.Int.Ed.Engl., 59, 2020
6YPR	Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 1.26 A in H32 space group 分子名称: GLYCEROL, Histidine triad nucleotide-binding protein 2, mitochondrial 著者 Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C. 登録日 2020-04-16 公開日 2020-04-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A. Biochim Biophys Acta Gen Subj, 1865, 2021
6FD9	Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with AMP 分子名称: ADENOSINE MONOPHOSPHATE, ATP phosphoribosyltransferase 著者 Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G. 登録日 2017-12-22 公開日 2018-10-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase Acs Catalysis, 2018
6YHR	Crystal structure of Werner syndrome helicase 分子名称: ADENOSINE-5'-DIPHOSPHATE, Werner syndrome ATP-dependent helicase, ZINC ION 著者 Newman, J.A, Gavard, A.E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-03-30 公開日 2020-04-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure of the helicase core of Werner helicase, a key target in microsatellite instability cancers. Life Sci Alliance, 4, 2021
6YR9	FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide 分子名称: Focal adhesion kinase 1, N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide 著者 Musil, D, Amaral, M. 登録日 2020-04-19 公開日 2021-02-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.925 Å) 主引用文献 Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2. Cell Chem Biol, 28, 2021
6YCK	Crystal structure of GcoA T296A bound to p-vanillin 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, ... 著者 Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. 登録日 2020-03-18 公開日 2021-02-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
6CKF	Structure of a new ShKT peptide from the sea anemone Oulactis sp: OspTx2a-p2 分子名称: OspTx2a-p2 著者 Sunanda, P, Krishnarjuna, B, Norton, R.S. 登録日 2018-02-28 公開日 2019-03-06 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Identification, chemical synthesis, structure, and function of a new KV1 channel blocking peptide from Oulactis sp. Peptide Science, 110, 2018
6YCL	Crystal structure of GcoA T296G bound to p-vanillin 分子名称: 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ... 著者 Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. 登録日 2020-03-18 公開日 2021-02-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
8AKP	Crystal structure of the catalytic domain of G7048 from Penicillium sumatraense 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, catalytic domain of G7048 著者 Troilo, F, Scafati, V, Giovannoni, M, Mattei, B, Benedetti, M, Angelucci, F, Di Matteo, A. 登録日 2022-07-30 公開日 2022-12-28 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Characterization of two 1,3-beta-glucan-modifying enzymes from Penicillium sumatraense reveals new insights into 1,3-beta-glucan metabolism of fungal saprotrophs. Biotechnol Biofuels Bioprod, 15, 2022
6YCO	Crystal structure of GcoA F169S bound to o-vanillin 分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... 著者 Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. 登録日 2020-03-18 公開日 2021-02-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
6FFN	Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors 分子名称: 3C protease, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Wiesmann, C, Farady, C. 登録日 2018-01-08 公開日 2018-02-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
6YCP	Crystal structure of GcoA F169V bound to o-vanillin 分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... 著者 Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. 登録日 2020-03-18 公開日 2021-02-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
6Q3C	CDK2 in complex with FragLite1 分子名称: 4-bromo-1H-pyrazole, Cyclin-dependent kinase 2 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-04 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
6YCJ	Crystal structure of GcoA T296S bound to guaiacol 分子名称: Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ... 著者 Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. 登録日 2020-03-18 公開日 2021-02-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021

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