PDB: 46006 件ウェブページステータス検索Chemie searchBIRD

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8AOC	Specific covalent inhibitor of ERK2 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOA	Covalent and non-covalent inhibitor of ERK2 (two sites) 分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOG	Non-specific covalent inhibitor(17) of ERK2 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.603 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOH	Specific covalent inhibitor(18) of ERK2 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOI	Specific covalent inhibitor(19) of ERK2 分子名称: 1,2-ETHANEDIOL, 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one, Mitogen-activated protein kinase 1, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.602 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AO2	Specific covalent inhibitor (3) of ERK2 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.796 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOD	Specific covalent inhibitor(14) of ERK2 分子名称: 1,2-ETHANEDIOL, 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one, 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AO7	Specific covalent inhibitor (8) of ERK2 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOE	Specific covalent inhibitor(15) of ERK2 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2023-05-24 実験手法 X-RAY DIFFRACTION (1.687 Å) 主引用文献 X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
1GZU	Crystal Structure of Human Nicotinamide Mononucleotide Adenylyltransferase in Complex with NMN 分子名称: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE 著者 Werner, E, Ziegler, M, Lerner, F, Schweiger, M, Heinemann, U. 登録日 2002-06-06 公開日 2002-07-05 最終更新日 2018-06-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal structure of human nicotinamide mononucleotide adenylyltransferase in complex with NMN. FEBS Lett., 516, 2002
4QPX	NV polymerase post-incorporation-like complex 分子名称: GLYCEROL, MANGANESE (II) ION, Polyprotein, ... 著者 Zamyatkin, D.F, Parra, F, Grochulski, P, Ng, K.K.S. 登録日 2014-06-25 公開日 2015-04-22 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Structure of a backtracked state reveals conformational changes similar to the state following nucleotide incorporation in human norovirus polymerase. Acta Crystallogr.,Sect.D, 70, 2014
4QSU	Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymine 分子名称: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... 著者 Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2014-07-06 公開日 2014-07-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
1R3C	THE STRUCTURE OF P38ALPHA C162S MUTANT 分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 14 著者 Patel, S.B, Cameron, P.M, Frantz-Wattley, B, O'Neill, E, Becker, J.W, Scapin, G. 登録日 2003-10-01 公開日 2004-01-20 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Lattice stabilization and enhanced diffraction in human p38 alpha crystals by protein engineering. Biochim.Biophys.Acta, 1696, 2004
4QVC	E.coli Hfq in complex with RNA Aus 分子名称: RNA (5'-R(*AP*U*AP*AP*CP*UP*A)-3'), RNA-binding protein Hfq 著者 Wang, L.J, Wang, W.W, Li, F.D, Wu, J.H, Gong, Q.G, Shi, Y.Y. 登録日 2014-07-14 公開日 2015-05-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Structural insights into the recognition of the internal A-rich linker from OxyS sRNA by Escherichia coli Hfq Nucleic Acids Res., 43, 2015
3HEC	P38 in complex with Imatinib 分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Namboodiri, H.V, Karpusas, M. 登録日 2009-05-08 公開日 2009-11-10 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases. Biochemistry, 49, 2010
3HGT	Structural and functional studies of the yeast class II Hda1 HDAC complex 分子名称: HDA1 complex subunit 3 著者 Lee, J.H, Maskos, K, Huber, R. 登録日 2009-05-14 公開日 2009-08-18 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural and Functional Studies of the Yeast Class II Hda1 Histone Deacetylase Complex. J.Mol.Biol., 391, 2009
4QSS	Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with N-Methyl-2-pyrrolidone (NMP) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-methylpyrrolidin-2-one, ATPase family AAA domain-containing protein 2, ... 著者 Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2014-07-06 公開日 2014-07-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
4OUC	Structure of human haspin in complex with histone H3 substrate 分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, Histone H3.2, ... 著者 Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2014-02-15 公開日 2014-04-16 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Modulation of the chromatin phosphoproteome by the haspin protein kinase. Mol Cell Proteomics, 13, 2014
3P79	P38 inhibitor-bound 分子名称: 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Moffett, K.K, Namboodiri, H. 登録日 2010-10-12 公開日 2011-10-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
4J26	Estrogen Receptor in complex with proline-flanked LXXLL peptides 分子名称: 12-mer Peptide, ESTRADIOL, Estrogen receptor beta 著者 Fuchs, S, Nguyen, H.D, Phan, T, Burton, M, Nieto, L, de Vries-van Leeuwen, I, Schmidt, A, Goodarzifard, M, Agten, S, Rose, R, Ottmann, C, Milroy, L.G, Brunsveld, L. 登録日 2013-02-04 公開日 2013-03-13 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Proline primed helix length as a modulator of the nuclear receptor-coactivator interaction J.Am.Chem.Soc., 135, 2013
4J24	Estrogen Receptor in complex with proline-flanked LXXLL peptides 分子名称: 19-mer peptide, ESTRADIOL, Estrogen receptor beta 著者 Fuchs, S, Nguyen, H.D, Phan, T, Burton, M, Nieto, L, de Vries-van Leeuwen, I, Schmidt, A, Goodarzifard, M, Agten, S, Rose, R, Ottmann, C, Milroy, L.G, Brunsveld, L. 登録日 2013-02-04 公開日 2013-03-13 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Proline primed helix length as a modulator of the nuclear receptor-coactivator interaction J.Am.Chem.Soc., 135, 2013
4RAF	Crystal structure of PP2Ca-D38A 分子名称: MANGANESE (II) ION, Protein phosphatase 1A 著者 Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. 登録日 2014-09-10 公開日 2015-08-26 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.001 Å) 主引用文献 The catalytic role of the M2 metal ion in PP2C alpha Sci Rep, 5, 2015
6IFN	Crystal structure of Type III-A CRISPR Csm complex 分子名称: MANGANESE (II) ION, RNA (32-MER), Type III-A CRISPR-associated RAMP protein Csm3, ... 著者 You, L, Wang, J, Wang, Y. 登録日 2018-09-20 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
6IS2	Crystal Structure of Staphylococcus aureus response regulator ArlR receiver domain in complex with Mg 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, IMIDAZOLE, MAGNESIUM ION, ... 著者 Wen, Y, Ouyang, Z. 登録日 2018-11-15 公開日 2019-10-30 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.591 Å) 主引用文献 Deciphering the activation and recognition mechanisms of Staphylococcus aureus response regulator ArlR. Nucleic Acids Res., 47, 2019
3P4K	The third conformation of p38a MAP kinase observed in phosphorylated p38a and in solution 分子名称: MAP kinase 14, Mitogen-activated protein kinase 14 著者 Akella, R, Min, X, Wu, Q, Gardner, K.H, Goldsmith, E.J. 登録日 2010-10-06 公開日 2011-01-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.304 Å) 主引用文献 The third conformation of p38a MAP kinase observed in phosphorylated p38a and in solution Structure, 18, 2010

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