PDB: 5434 件ウェブページステータス検索Chemie searchBIRD

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6HEP	Crystal structure of human 14-3-3 beta in complex with CFTR R-domain peptide pS753-pS768 分子名称: 14-3-3 protein beta/alpha, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Cystic fibrosis transmembrane conductance regulator 著者 Stevers, L.M, Ottmann, C, Brunsveld, L. 登録日 2018-08-20 公開日 2018-10-24 最終更新日 2018-11-07 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 A Thermodynamic Model for Multivalency in 14-3-3 Protein-Protein Interactions. J. Am. Chem. Soc., 140, 2018
7JS8	STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) 分子名称: (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Klein, D.J, Yu, W. 登録日 2020-08-14 公開日 2021-08-11 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.634 Å) 主引用文献 Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity. J.Med.Chem., 64, 2021
5Z5U	The first bromodomain of BRD4 with compound BDF-2254 分子名称: 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol, Bromodomain-containing protein 4 著者 Zhang, H, Luo, C. 登録日 2018-01-20 公開日 2019-01-23 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.631 Å) 主引用文献 Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma. Oncogenesis, 7, 2018
6TPX	N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide 分子名称: 1,2-ETHANEDIOL, 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide, Bromodomain-containing protein 4 著者 Chung, C. 登録日 2019-12-15 公開日 2020-01-15 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening. J.Med.Chem., 63, 2020
6I15	CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 11 分子名称: 1,2-ETHANEDIOL, 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide, ACETATE ION, ... 著者 Schuettelkopf, A.W. 登録日 2018-10-27 公開日 2019-02-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
6HW2	The Crystal Structure of CaV beta4c in complex with HP1gamma chromo shadow domains 分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, CALCIUM ION, ... 著者 Tanner, N, Tripathy, D.R, Hirsch, J.A. 登録日 2018-10-11 公開日 2020-01-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.941 Å) 主引用文献 The Crystal Structure of CaV beta4c in complex with HP1gamma chromo shadow domains To Be Published
6H7X	First X-ray structure of full-length human RuvB-Like 2. 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... 著者 Silva, S, Brito, J.A, Matias, P, Bandeiras, T. 登録日 2018-07-31 公開日 2018-08-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.892 Å) 主引用文献 X-ray structure of full-length human RuvB-Like 2 - mechanistic insights into coupling between ATP binding and mechanical action. Sci Rep, 8, 2018
5ZCJ	Crystal structure of complex 分子名称: TP53-binding protein 1, Tudor-interacting repair regulator protein 著者 Wang, J, Yuan, Z, Cui, Y, Xie, R, Wang, M, Ma, Y, Yu, X, Liu, X. 登録日 2018-02-17 公開日 2018-06-27 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.004 Å) 主引用文献 Crystal structure of complex To Be Published
5YVG	Crystal structure of Karyopherin beta2 in complex with FUS(full length) 分子名称: RNA-binding protein FUS, Transportin-1 著者 Yoshizawa, T, Fung, H.Y.J, Chook, Y.M. 登録日 2017-11-25 公開日 2018-05-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (4.05 Å) 主引用文献 Nuclear Import Receptor Inhibits Phase Separation of FUS through Binding to Multiple Sites. Cell, 173, 2018
6HJJ	Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand 分子名称: 2,5,8,11-TETRAOXATRIDECANE, ACETATE ION, Aurora kinase A, ... 著者 Bayliss, R, McIntyre, P.J. 登録日 2018-09-04 公開日 2018-10-03 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases. ACS Chem. Biol., 13, 2018
5Z8G	BRD4 Bromodomain 1 with an inhibitor 分子名称: 1-ethyl-6-[(3R)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE 著者 Xiao, S, Chen, S, Chen, H. 登録日 2018-01-31 公開日 2019-02-06 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.701 Å) 主引用文献 BRD4 Bromodomain 1 with an inhibitor To Be Published
5Z1S	Crystal Structure Analysis of the BRD4(1) 分子名称: 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ... 著者 Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. 登録日 2017-12-28 公開日 2019-01-02 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
7JZT	Low resolution crystal structure of Zaire Ebola virus VP40 in space group P6422 分子名称: Matrix protein VP40 著者 Norris, M.J, Bornholdt, Z.A, Saphire, E.O. 登録日 2020-09-02 公開日 2020-10-21 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.77 Å) 主引用文献 Ebola and Marburg virus matrix layers are locally ordered assemblies of VP40 dimers. Elife, 9, 2020
7KA3	Aldolase, rabbit muscle (beam-tilt refinement x3) 分子名称: Fructose-bisphosphate aldolase A 著者 Kearns, S.K, Cash, J.N, Cianfrocco, M.A, Li, Y. 登録日 2020-09-29 公開日 2020-12-02 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 High-resolution cryo-EM using beam-image shift at 200 keV. Iucrj, 7, 2020
7KBG	Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20) 分子名称: 2,5-dichloro-1H-benzimidazole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Klein, D.J, Liu, J. 登録日 2020-10-02 公開日 2020-12-30 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group. Acs Med.Chem.Lett., 11, 2020
5WFU	Structural basis for the interaction of 14-3-3beta with Tricarboxylic Acid Cycle intermediate Malate 分子名称: 14-3-3 protein beta/alpha, D-MALATE 著者 Hou, Z.Q, Liu, X.Y. 登録日 2017-07-12 公開日 2018-07-18 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Structural basis for the interaction of 14-3-3beta with Tricarboxylic Acid Cycle intermediate Malate To Be Published
6I11	CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 3 分子名称: ACETATE ION, Fascin, ~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide 著者 Schuettelkopf, A.W. 登録日 2018-10-27 公開日 2019-02-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
6TPZ	N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one 分子名称: 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4 著者 Chung, C. 登録日 2019-12-15 公開日 2020-01-15 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.299 Å) 主引用文献 Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening. J.Med.Chem., 63, 2020
6HD0	Common mode of remodeling AAA ATPases p97/CDC48 by their disassembly cofactors ASPL/PUX1 分子名称: ADENOSINE-5'-DIPHOSPHATE, Plant UBX domain-containing protein 1, Transitional endoplasmic reticulum ATPase 著者 Heinemann, U, Roske, Y, Banchenko, S. 登録日 2018-08-17 公開日 2019-08-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.728 Å) 主引用文献 Common Mode of Remodeling AAA ATPases p97/CDC48 by Their Disassembling Cofactors ASPL/PUX1. Structure, 27, 2019
6HAB	Crystal structure of BiP V461F (apo) 分子名称: DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP 著者 Yan, Y, Ron, D. 登録日 2018-08-07 公開日 2019-02-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP. Nat Commun, 10, 2019
6SXB	XPF-ERCC1 Cryo-EM Structure, DNA-Bound form 分子名称: DNA (5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*TP*G)-3'), DNA (5'-D(P*CP*AP*GP*AP*TP*GP*CP*TP*GP*A)-3'), DNA excision repair protein ERCC-1, ... 著者 Jones, M.L, Briggs, D.C, McDonald, N.Q. 登録日 2019-09-25 公開日 2020-03-11 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (7.9 Å) 主引用文献 Cryo-EM structures of the XPF-ERCC1 endonuclease reveal how DNA-junction engagement disrupts an auto-inhibited conformation. Nat Commun, 11, 2020
7KDT	Human Tom70 in complex with SARS CoV2 Orf9b 分子名称: Mitochondrial import receptor subunit TOM70, ORF9b protein 著者 QCRG Structural Biology Consortium 登録日 2020-10-09 公開日 2020-10-21 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (3.05 Å) 主引用文献 Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms. Science, 370, 2020
6HAD	Human transketolase variant E160Q 分子名称: CALCIUM ION, MAGNESIUM ION, SODIUM ION, ... 著者 Dai, S, Sautner, V, Tittmann, K. 登録日 2018-08-07 公開日 2019-08-21 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.04 Å) 主引用文献 Low-barrier hydrogen bonds in enzyme cooperativity. Nature, 573, 2019
5WS0	Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor 分子名称: 2-piperazin-1-ylcarbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1 著者 Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. 登録日 2016-12-04 公開日 2017-01-25 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor To Be Published
5WUU	Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring 分子名称: Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide 著者 Zhang, H, Sun, Z.Y. 登録日 2016-12-21 公開日 2017-04-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.724 Å) 主引用文献 Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays. Bioorg. Med. Chem. Lett., 27, 2017

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