PDB: 71589 件ウェブページステータス検索Chemie searchBIRD

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4LTZ	F95M Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation 分子名称: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... 著者 Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. 登録日 2013-07-24 公開日 2013-12-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.448 Å) 主引用文献 Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
4LUU	V329A Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation 分子名称: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... 著者 Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. 登録日 2013-07-25 公開日 2013-12-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
4M41	RB69 DNA polymerase ternary complex with dG/dT at position n-3 of primer/tempLate duplex 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... 著者 Xia, S, Konigsberg, W.H. 登録日 2013-08-06 公開日 2014-02-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Mispairs with Watson-Crick base-pair geometry observed in ternary complexes of an RB69 DNA polymerase variant. Protein Sci., 23, 2014
4LXW	L72V Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation 分子名称: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... 著者 Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. 登録日 2013-07-30 公開日 2013-12-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.092 Å) 主引用文献 Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
5OTM	Crystal structure of human MTH1 in complex with O6-methyl-dGMP 分子名称: 6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... 著者 Gustafsson, R, Henriksson, L, Jemth, A.-S, Brautigam, L, Carreras Puigvert, J, Homan, E, Warpman Berglund, U, Helleday, T, Stenmark, P. 登録日 2017-08-22 公開日 2018-09-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP. Nucleic Acids Res., 46, 2018
4M3Z	RB69 DNA polymerase ternary complex with dG/dT at position n-2 of primer/tempLate duplex 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... 著者 Xia, S, Konigsberg, W.H. 登録日 2013-08-06 公開日 2014-02-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Mispairs with Watson-Crick base-pair geometry observed in ternary complexes of an RB69 DNA polymerase variant. Protein Sci., 23, 2014
4OJO	Crystal Structure of Putative Tailspike Protein (TSP1, orf210) from Escherichia coli O157:H7 Bacteriohage CBA120 in Complex with Lactose 分子名称: Tailspike protein, ZINC ION, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose 著者 Chen, C, Herzberg, O. 登録日 2014-01-21 公開日 2014-03-26 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of ORF210 from E. coli O157:H1 phage CBA120 (TSP1), a putative tailspike protein. Plos One, 9, 2014
4OOM	Crystal structure of PBP3 in complex with BAL30072 ((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide) 分子名称: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide, Cell division protein FtsI [Peptidoglycan synthetase] 著者 Han, S, Caspers, N, Knafels, J.D. 登録日 2014-02-03 公開日 2014-05-07 最終更新日 2014-05-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria. J.Med.Chem., 57, 2014
5VNM	Crystal structure of Sec23a/Sec24a/Sec22 complexed with 4-phenylbutyric acid (15mM soaking) 分子名称: 4-PHENYL-BUTANOIC ACID, Protein transport protein Sec23A, Protein transport protein Sec24A, ... 著者 Ma, W, Goldberg, J. 登録日 2017-04-30 公開日 2017-07-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.765 Å) 主引用文献 ER retention is imposed by COPII protein sorting and attenuated by 4-phenylbutyrate. Elife, 6, 2017
4OW5	Structural basis for the enhancement of virulence by entomopoxvirus fusolin and its in vivo crystallization into viral spindles 分子名称: 1,2-ETHANEDIOL, Fusolin 著者 Hijnen, M, Boudes, M, Aizel, K, Coulibaly, F. 登録日 2014-01-31 公開日 2015-03-18 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis for the enhancement of virulence by viral spindles and their in vivo crystallization. Proc.Natl.Acad.Sci.USA, 112, 2015
4MWI	Crystal structure of the human MLKL pseudokinase domain 分子名称: (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, GLYCEROL, Mixed lineage kinase domain-like protein 著者 Czabotar, P.E, Murphy, J.M. 登録日 2013-09-25 公開日 2013-12-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Insights into the evolution of divergent nucleotide-binding mechanisms among pseudokinases revealed by crystal structures of human and mouse MLKL. Biochem.J., 457, 2014
5VNK	Crystal structure of Sec23a/Sec24a/Sec22 complexed with a C-terminal LL sorting motif 分子名称: C-terminal LL, Protein transport protein Sec23A, Protein transport protein Sec24A, ... 著者 Ma, W, Goldberg, J. 登録日 2017-04-30 公開日 2017-07-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 ER retention is imposed by COPII protein sorting and attenuated by 4-phenylbutyrate. Elife, 6, 2017
5VNH	Crystal structure of Sec23a/Sec24a/Sec22 complexed with a C-terminal SV sorting motif 分子名称: C-terminal SV motif, Protein transport protein Sec23A, Protein transport protein Sec24A, ... 著者 Ma, W, Goldberg, J. 登録日 2017-04-30 公開日 2017-07-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 ER retention is imposed by COPII protein sorting and attenuated by 4-phenylbutyrate. Elife, 6, 2017
4MN4	Structural Basis for the MukB-topoisomerase IV Interaction 分子名称: Chromosome partition protein MukB, DNA topoisomerase 4 subunit A 著者 Vos, S.M, Stewart, N.K, Oakley, M.G, Berger, J.M. 登録日 2013-09-09 公開日 2013-10-23 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural basis for the MukB-topoisomerase IV interaction and its functional implications in vivo. Embo J., 32, 2013
4MQU	Human GKRP complexed to AMG-3969 and S6P 分子名称: 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... 著者 St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L. 登録日 2013-09-16 公開日 2014-05-07 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles. J.Med.Chem., 57, 2014
5VNN	Crystal structure of Sec23a/Sec24a/Sec22 complexed with 4-phenylbutyric acid (50mM soaking) 分子名称: 4-PHENYL-BUTANOIC ACID, Protein transport protein Sec23A, Protein transport protein Sec24A, ... 著者 Ma, W, Goldberg, J. 登録日 2017-05-01 公開日 2017-07-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.501 Å) 主引用文献 ER retention is imposed by COPII protein sorting and attenuated by 4-phenylbutyrate. Elife, 6, 2017
3SRD	Human M2 pyruvate kinase in complex with fructose 1-6 bisphosphate and Oxalate. 分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... 著者 Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D. 登録日 2011-07-07 公開日 2012-08-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.902 Å) 主引用文献 Allosetric regulation of M2 pyruvate kinase. To be Published
3SRK	A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase 分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, POTASSIUM ION, Pyruvate kinase, ... 著者 Morgan, H.P, Walsh, M, Blackburn, E.A, Wear, M.A, Boxer, M, Shen, M, McNae, I.W, Michels, P.A.M, Auld, D.S, Fothergill-Gilmore, L.A, Walkinshaw, M.D. 登録日 2011-07-07 公開日 2012-07-18 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase To be Published
4N1J	Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions 分子名称: GLYCEROL, NACHT, LRR and PYD domains-containing protein 14 著者 Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H. 登録日 2013-10-04 公開日 2014-07-16 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions. Acta Crystallogr.,Sect.D, 70, 2014
5Q0J	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: (2S)-N,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1H-benzimidazol-1-yl]acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2021-11-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q0X	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carbox ylic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q15	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: (2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q0N	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: 3-chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2021-11-17 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q10	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, N-[3-(acetylamino)phenyl]-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q1D	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018

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