PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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6FVG	The Structure of CK2alpha with CCh507 bound 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate 著者 Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M. 登録日 2018-03-02 公開日 2019-06-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors. Sci Rep, 9, 2019
6FT7	Crystal structure of CLK3 in complex with compound 8a 分子名称: 1,2-ETHANEDIOL, 3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one, Dual specificity protein kinase CLK3, ... 著者 Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2018-02-20 公開日 2018-05-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype. PLoS ONE, 13, 2018
6FTZ	COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 6 分子名称: Complement factor D, ~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide 著者 Ostermann, N. 登録日 2018-02-26 公開日 2018-06-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
8H55	The structure of zebrafish angiotensinogen 分子名称: Angiotensinogen, SULFATE ION 著者 Zhou, A, Wei, H. 登録日 2022-10-12 公開日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 BIOLOGICAL IMPLICATIONS OF A 2 ANGSTROMS STRUCTURE OF DIMERIC ANGIOTENSINOGEN To Be Published
6FUH	Complement factor D in complex with the inhibitor (4-((3-(aminomethyl)phenyl)amino)quinazolin-2-yl)-L-valine 分子名称: (2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid, Complement factor D 著者 Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. 登録日 2018-02-27 公開日 2018-06-06 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
6FYL	X-ray structure of CLK2-KD(136-496)/CX-4945 at 1.95A 分子名称: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK2 著者 Kallen, J. 登録日 2018-03-12 公開日 2018-07-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome. ChemMedChem, 13, 2018
6G01	Complex of neuraminidase from H1N1 influenza virus with tamiphosphor monomethyl ester 分子名称: 1,2-ETHANEDIOL, 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 Pachl, P, Pokorna, J. 登録日 2018-03-15 公開日 2019-01-23 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 DNA-linked inhibitor antibody assay (DIANA) as a new method for screening influenza neuraminidase inhibitors. Biochem. J., 475, 2018
6FMA	Crystal structure of ERK2 in complex with an adenosine derivative 分子名称: 3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 Gelin, M, Labesse, G. 登録日 2018-01-30 公開日 2019-03-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.667 Å) 主引用文献 None To be published
6FMO	Crystal structure of the substrate (obtusifoliol)-bound and ligand-free I105F mutant of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi 分子名称: Obtusifoliol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14alpha-demethylase 著者 Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. 登録日 2018-02-01 公開日 2018-10-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.18 Å) 主引用文献 Binding of a physiological substrate causes large-scale conformational reorganization in cytochrome P450 51. J. Biol. Chem., 293, 2018
6FN8	Domain II of the HUMAN COPPER CHAPERONE FOR SUPEROXIDE DISMUTASE at 1.55 A resolution 分子名称: Copper chaperone for superoxide dismutase, ZINC ION 著者 Sala, F.A, Wright, G.S.A, Antonyuk, S.V, Garratt, R.C, Hasnain, S.S. 登録日 2018-02-02 公開日 2019-01-30 最終更新日 2019-06-19 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Molecular recognition and maturation of SOD1 by its evolutionarily destabilised cognate chaperone hCCS. Plos Biol., 17, 2019
6G5C	Interaction of TiO2 nanoparticles (NM-101) with Lysozyme 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... 著者 Sbirkova-Dimitrova, H.I, Radoslavov, G, Hristov, P, Ganev, V, Dimowa, L, Rusev, R, Shivachev, B.L. 登録日 2018-03-29 公開日 2018-10-24 最終更新日 2019-03-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystallization and crystal structure of lysozyme in the presence of nanosized Titanium dioxide Bul.Chem.Commn., 50, 2018
6G61	Crystal structure of thioredoxin O1 from Arabidopsis thaliana in oxidized state 分子名称: Thioredoxin O1, mitochondrial 著者 Roret, T, Didierjean, C. 登録日 2018-03-31 公開日 2018-10-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 MitochondrialArabidopsis thalianaTRXo Isoforms Bind an Iron−Sulfur Cluster and Reduce NFU Proteins In Vitro. Antioxidants (Basel), 7, 2018
6G97	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9H	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-methyl-ethanamide 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G93	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9J	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
8H4X	Structure of cleaved Serpin B9 分子名称: 1,2-ETHANEDIOL, Serpin B9, ZINC ION 著者 Zhou, A, Yan, T. 登録日 2022-10-11 公開日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Expression, purification and crystallization of cleaved Serpin B9 To Be Published
6FR1	Crystal structure of ERK2 in complex with an adenosine derivative 分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Gelin, M, Labesse, G. 登録日 2018-02-15 公開日 2019-03-13 実験手法 X-RAY DIFFRACTION (1.561 Å) 主引用文献 None To be published
8H8V	Room-temperature structure of lysozyme by pink-beam serial crystallography (100 ms, edge) 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 Kim, Y, Nam, K.H. 登録日 2022-10-24 公開日 2023-11-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Data of pink-beam serial synchrotron crystallography at the Pohang Light Source II. Data Brief, 52, 2024
8H8U	Room-temperature structure of lysozyme by pink-beam serial crystallography (50 ms, center) 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 Kim, Y, Nam, K.H. 登録日 2022-10-24 公開日 2023-11-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Data of pink-beam serial synchrotron crystallography at the Pohang Light Source II. Data Brief, 52, 2024
8H8T	Room-temperature structure of lysozyme by pink-beam serial crystallography (50 ms, edge) 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 Kim, Y, Nam, K.H. 登録日 2022-10-24 公開日 2023-11-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Data of pink-beam serial synchrotron crystallography at the Pohang Light Source II. Data Brief, 52, 2024
8H7P	Crystal structure of aqualigase bound with Suc-AAPF 分子名称: 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, CALCIUM ION, Subtilisin, ... 著者 Li, H, Ma, M.Z, Zhang, L.J, Dai, L, Chen, C.-C, Guo, R.-T. 登録日 2022-10-20 公開日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Crystal structure of aqualigase bound with Suc-AAPF To Be Published
6FX5	MITF dimerization mutant 分子名称: Microphthalmia-associated transcription factor, SULFATE ION 著者 Pogenberg, V, Milewski, M, Wilmanns, M. 登録日 2018-03-08 公開日 2019-03-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Mechanism of conditional partner selectivity in MITF/TFE family transcription factors with a conserved coiled coil stammer motif. Nucleic Acids Res., 48, 2020
1GKT	Neutron Laue diffraction structure of endothiapepsin complexed with transition state analogue inhibitor H261 分子名称: ENDOTHIAPEPSIN, INHIBITOR, H261 著者 Coates, L, Erskine, P.T, Wood, S.P, Myles, D.A.A, Cooper, J.B. 登録日 2001-08-20 公開日 2001-11-20 最終更新日 2023-11-15 実験手法 NEUTRON DIFFRACTION (2.1 Å) 主引用文献 A Neutron Laue Diffraction Study of Endothiapepsin: Implications for the Aspartic Proteinase Mechanism Biochemistry, 40, 2001
1GJN	Hydrogen Peroxide Derived Myoglobin Compound II at pH 5.2 分子名称: HYDROXIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Hersleth, H.-P, Dalhus, B, Gorbitz, C.H, Andersson, K.K. 登録日 2001-07-27 公開日 2002-03-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 An Iron Hydroxide Moiety in the 1.35 A Resolution Structure of Hydrogen Peroxide Derived Myoglobin Compound II at Ph 5.2 J.Biol.Inorg.Chem., 7, 2002

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