PDB: 37044 件ウェブページステータス検索Chemie searchBIRD

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7VM5	Crystal structure of uPA in complex with 4-guanidinobenzoic acid 分子名称: 4-carbamimidamidobenzoic acid, TRIETHYLENE GLYCOL, Urokinase-type plasminogen activator 著者 Jiang, L.G, Huang, M.D. 登録日 2021-10-07 公開日 2022-10-12 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat. Biophys.J., 121, 2022
5KXO	Hen Egg White Lysozyme at 278K, Data set 1 分子名称: Lysozyme C, SODIUM ION 著者 Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. 登録日 2016-07-20 公開日 2016-09-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
5KXV	Structure Proteinase K at 0.98 Angstroms 分子名称: CALCIUM ION, GLYCEROL, NITRATE ION, ... 著者 Masuda, T, Suzuki, M, Inoue, S, Numata, K, Sugahara, M. 登録日 2016-07-20 公開日 2017-06-07 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Atomic resolution structure of serine protease proteinase K at ambient temperature. Sci Rep, 7, 2017
7VM6	Crystal structure of uPA in complex with 6-amidino-2-naphthol 分子名称: 6-oxidanylnaphthalene-2-carboximidamide, SULFATE ION, TRIETHYLENE GLYCOL, ... 著者 Jiang, L.G, Huang, M.D. 登録日 2021-10-07 公開日 2022-10-12 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat. Biophys.J., 121, 2022
6ML5	ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4) 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ... 著者 Horton, J.R, Cheng, X, Ren, R. 登録日 2018-09-26 公開日 2019-07-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
6MUZ	Lysozyme, room temperature structure solved by serial 3 degree oscillation crystallography 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Kriksunov, I, Gruner, S.M, Miller, R.J.D. 登録日 2018-10-24 公開日 2019-03-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.839 Å) 主引用文献 Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
7VRL	Solution structure of Rbfox RRM bound to a non-cognate RNA 分子名称: RNA (5'-R(*UP*GP*CP*AP*UP*AP*U)-3'), RNA binding protein fox-1 homolog 1 著者 Yang, F, Varani, G. 登録日 2021-10-23 公開日 2022-10-26 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Two distinct binding modes provide the RNA-binding protein RbFox with extraordinary sequence specificity. Nat Commun, 14, 2023
5L15	The crystal structure of neuraminidase in complex with oseltamivir from A/Shanghai/2/2013 (H7N9) influenza virus 分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Yang, H, Stevens, J. 登録日 2016-07-28 公開日 2017-08-09 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins. J. Infect. Dis., 216, 2017
5L1V	X-ray Structure of M81C mutant of Cytochrome P450 PntM with pentalenolactone F 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F 著者 Duan, L, Jogl, G, Cane, D.E. 登録日 2016-07-29 公開日 2016-09-14 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
6C2I	Structure of Bace-1 (Beta-Secretase) in complex with : N-(3-((1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide 分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ... 著者 Sickmier, E.A. 登録日 2018-01-08 公開日 2018-02-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Diastereoselective synthesis of fused cyclopropyl-3-amino-2,4-oxazine beta-amyloid cleaving enzyme (BACE) inhibitors and their biological evaluation. Bioorg. Med. Chem. Lett., 28, 2018
6C2R	Aurora A ligand complex 分子名称: (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid, Aurora kinase A, SULFATE ION 著者 Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S. 登録日 2018-01-08 公開日 2019-01-23 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene. Cancer Discov, 9, 2019
5KXZ	Hen Egg White Lysozyme at 278K, Data set 9 分子名称: Lysozyme C, SODIUM ION 著者 Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. 登録日 2016-07-20 公開日 2016-09-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
6C40	CheY41PyTyrD54K from Thermotoga maritima 分子名称: COPPER (II) ION, Chemotaxis protein CheY 著者 Merz, G.E, Muok, A.R, Crane, B.R. 登録日 2018-01-11 公開日 2018-10-17 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Site-Specific Incorporation of a Cu2+Spin Label into Proteins for Measuring Distances by Pulsed Dipolar Electron Spin Resonance Spectroscopy. J Phys Chem B, 122, 2018
8EML	Crystal Structure of Gsx2 Homeodomain in Complex with DNA 分子名称: DNA (5'-D(P*GP*AP*GP*CP*TP*AP*AP*TP*TP*AP*AP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*TP*TP*TP*AP*AP*TP*TP*AP*GP*CP*TP*C)-3'), GS homeobox 2, ... 著者 Webb, J.A, Kovall, R.A. 登録日 2022-09-28 公開日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Crystal Structure of Gsx2 Homeodomain in Complex with DNA To Be Published
5L1R	X-ray Structure of the Substrate-free Cytochrome P450 PntM 分子名称: BICINE, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase 著者 Duan, L, Jogl, G, Cane, D.E. 登録日 2016-07-29 公開日 2016-09-14 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
7VQG	The X-ray structure of human neuroglobin A15C mutant 分子名称: 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Neuroglobin, ... 著者 Lin, Y.W. 登録日 2021-10-19 公開日 2022-10-26 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 The X-ray structure of human neuroglobin A15C mutant To Be Published
8ENJ	Design, synthesis, biological evaluation, and X-ray crystallography of diarylpyrazole derivatives possessing terminal arylsulfonamide moieties as anti-proliferative agents targeting c-Jun N-terminal kinase (JNK) 分子名称: Mitogen-activated protein kinase 10, N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide 著者 Park, H, Mersal, K.I. 登録日 2022-09-30 公開日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 Evaluation of novel pyrazol-4-yl pyridine derivatives possessing arylsulfonamide tethers as c-Jun N-terminal kinase (JNK) inhibitors in leukemia cells. Eur.J.Med.Chem., 261, 2023
8IWM	Cryo-EM structure of the PEA-bound mTAAR9 complex 分子名称: 2-PHENYLETHYLAMINE, Trace amine-associated receptor 9 著者 Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. 登録日 2023-03-30 公開日 2023-05-31 最終更新日 2023-06-14 実験手法 ELECTRON MICROSCOPY (3.17 Å) 主引用文献 Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
8IWE	Cryo-EM structure of the SPE-mTAAR9 complex 分子名称: SPERMIDINE, Trace amine-associated receptor 9 著者 Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. 登録日 2023-03-29 公開日 2023-05-31 最終更新日 2023-06-14 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
8ONS	TAF15 amyloid fold in atypical FTLD - Individual 1 分子名称: TATA-binding protein-associated factor 2N 著者 Tetter, S, Ryskeldi-Falcon, B. 登録日 2023-04-03 公開日 2023-12-06 最終更新日 2024-02-07 実験手法 ELECTRON MICROSCOPY (1.97 Å) 主引用文献 TAF15 amyloid filaments in frontotemporal lobar degeneration. Nature, 625, 2024
8ERN	Cyclin-free CDK2 in complex with Cpd21 分子名称: Cyclin-dependent kinase 2, GLYCEROL, N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide 著者 Murray, J.M, Oh, A. 登録日 2022-10-12 公開日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Cyclin-free CDK2 in complex with Cpd21 To Be Published
7NR3	Discovery of ASTX029, a clinical candidate 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-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2021-03-02 公開日 2021-10-06 実験手法 X-RAY DIFFRACTION (1.897 Å) 主引用文献 Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
7NQQ	Discovery of ASTX029, a clinical candidate 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~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 O'Reilly, M. 登録日 2021-03-02 公開日 2021-10-06 実験手法 X-RAY DIFFRACTION (1.943 Å) 主引用文献 Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
6MNX	Structural basis of impaired hydrolysis in KRAS Q61H mutant 分子名称: GTPase KRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION 著者 Bera, A.K, Westover, K.D. 登録日 2018-10-03 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 KRASQ61HPreferentially Signals through MAPK in a RAF Dimer-Dependent Manner in Non-Small Cell Lung Cancer. Cancer Res., 80, 2020
7NR9	Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M, Cleasby, A. 登録日 2021-03-03 公開日 2021-10-06 実験手法 X-RAY DIFFRACTION (1.906 Å) 主引用文献 Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021

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