PDB: 184050 件ウェブページステータス検索Chemie searchBIRD

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3T0D	E.coli (lacZ) beta-galactosidase (S796T) in complex with galactonolactone 分子名称: Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... 著者 Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. 登録日 2011-07-20 公開日 2012-01-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Ser-796 of Beta-galactosidase (E. coli) plays a Key role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
3T08	E. coli (LacZ) beta-galactosidase (S796A) IPTG complex 分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... 著者 Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. 登録日 2011-07-19 公開日 2012-01-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
3SEP	E. coli (lacZ) beta-galactosidase (S796A) 分子名称: Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... 著者 Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. 登録日 2011-06-10 公開日 2012-01-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
3T2Q	E. coli (lacZ) beta-galactosidase (S796D) in complex with galactonolactone 分子名称: Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... 著者 Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. 登録日 2011-07-22 公開日 2012-01-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
3T2O	E. coli (lacZ) beta-galactosidase (S796D) 分子名称: Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... 著者 Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. 登録日 2011-07-22 公開日 2012-01-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
3T09	E. coli (LacZ) beta-galactosidase (S796A) galactonolactone complex 分子名称: Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... 著者 Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. 登録日 2011-07-19 公開日 2012-01-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
3T2P	E. coli (lacZ) beta-galactosidase (S796D) in complex with IPTG 分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... 著者 Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. 登録日 2011-07-22 公開日 2012-01-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop Arch.Biochem.Biophys., 517, 2012
3IAP	E. coli (lacZ) beta-galactosidase (E416Q) 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ... 著者 Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E. 登録日 2009-07-14 公開日 2009-12-29 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry Protein J., 29, 2010
4CXY	Crystal structure of human FTO in complex with acylhydrazine inhibitor 21 分子名称: (E)-4-(2-Nicotinoylhydrazinyl)-4-oxobut-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION 著者 Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G. 登録日 2014-04-09 公開日 2014-10-01 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO. Chem Sci, 6, 2015
3IAQ	E. coli (lacz) beta-galactosidase (E416V) 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ... 著者 Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E. 登録日 2009-07-14 公開日 2009-12-29 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry Protein J., 29, 2010
3GQL	Crystal Structure of activated receptor tyrosine kinase in complex with substrates 分子名称: (E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol, Basic fibroblast growth factor receptor 1 著者 Bae, J.H, Lew, E.D, Yuzawa, S, Tome, F, Lax, I, Schlessinger, J. 登録日 2009-03-24 公開日 2009-08-18 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 The selectivity of receptor tyrosine kinase signaling is controlled by a secondary SH2 domain binding site. Cell(Cambridge,Mass.), 138, 2009
4D7Z	E. coli L-aspartate-alpha-decarboxylase mutant N72Q to a resolution of 1.9 Angstroms 分子名称: ASPARTATE 1-DECARBOXYLASE ALPHA CHAIN, ASPARTATE 1-DECARBOXYLASE BETA CHAIN, DI(HYDROXYETHYL)ETHER, ... 著者 Bravo, J.P.K, Monteiro, D.C.F, Webb, M.E, Pearson, A.R. 登録日 2014-12-02 公開日 2016-01-13 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The Structure of the E. Coli L-Aspartate-Alpha-Decarboxylase Mutant N72Q to a Resolution of 1.9 Angstroms To be Published
3AAS	Bovine beta-trypsin bound to meta-guanidino schiff base copper (II) chelate 分子名称: (E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine, CALCIUM ION, COPPER (II) ION, ... 著者 Iyaguchi, D, Kawano, S, Toyota, E. 登録日 2009-11-26 公開日 2010-04-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin Bioorg.Med.Chem., 18, 2010
2YIQ	Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1322 分子名称: (E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 著者 Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. 登録日 2011-05-16 公開日 2011-09-07 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket. FEBS Lett., 585, 2011
2YIR	Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1352 分子名称: (E)-N-(5-(2-CARBAMIMIDOYLHYDRAZONO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-7-NITRO-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 著者 Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. 登録日 2011-05-16 公開日 2011-09-07 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket. FEBS Lett., 585, 2011
2KHO	NMR-RDC / XRAY structure of E. coli HSP70 (DNAK) chaperone (1-605) complexed with ADP and substrate 分子名称: Heat shock protein 70 著者 Zuiderweg, E.R.P, Bertelsen, E.B. 登録日 2009-04-10 公開日 2009-05-12 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Solution conformation of wild-type E. coli Hsp70 (DnaK) chaperone complexed with ADP and substrate. Proc.Natl.Acad.Sci.USA, 106, 2009
2KTZ	Inhibitor Induced Structural Change in the HCV IRES Domain IIa RNA 分子名称: (7R)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine, HCV IRES Domain IIa RNA 著者 Paulsen, R.B, Seth, P.P, Swayze, E.E, Griffey, R.H, Skalicky, J.J, Cheatham III, T.E, Davis, D.R. 登録日 2010-02-10 公開日 2010-04-28 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Inhibitor-induced structural change in the HCV IRES domain IIa RNA. Proc.Natl.Acad.Sci.USA, 107, 2010
6P9U	Crystal structure of human thrombin mutant W215A 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, ZINC ION 著者 Pelc, L.A, Koester, S.K, Chen, Z, Di Cera, E. 登録日 2019-06-10 公開日 2019-09-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin. Sci Rep, 9, 2019
2A0F	Structure of D236A mutant E. coli Aspartate Transcarbamoylase in presence of Phosphonoacetamide at 2.90 A resolution 分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, PHOSPHONOACETAMIDE, ... 著者 Stieglitz, K.A, Dusinberre, K.J, Cardia, J.P, Tsuruta, H, Kantrowitz, E.R. 登録日 2005-06-16 公開日 2005-09-27 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structure of the E.coli Aspartate Transcarbamoylase Trapped in the Middle of the Catalytic Cycle. J.Mol.Biol., 352, 2005
4LUP	Crystal structure of the complex formed by region of E. coli sigmaE bound to its -10 element non template strand 分子名称: 1,2-ETHANEDIOL, RNA polymerase sigma factor, region 2 of sigmaE of E. coli 著者 Campagne, S, Marsh, M.E, Vorholt, J.A.V, Allain, F.H.-T, Capitani, G. 登録日 2013-07-25 公開日 2014-02-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Structural basis for -10 promoter element melting by environmentally induced sigma factors. Nat.Struct.Mol.Biol., 21, 2014
5XMX	Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD 分子名称: (E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid, Peroxisome proliferator-activated receptor delta 著者 Lakshminarasimhan, A, Rani, S.T, Senaiar, R.S, Krishnamurthy, N. 登録日 2017-05-16 公開日 2018-05-23 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Novel highly selective peroxisome proliferator-activated receptor delta (PPAR delta) modulators with pharmacokinetic properties suitable for once-daily oral dosing. Bioorg. Med. Chem. Lett., 27, 2017
5BQH	Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain 分子名称: (2-hydroxyethoxy)acetaldehyde, GLUTATHIONE, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, ... 著者 Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. 登録日 2015-05-29 公開日 2016-04-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.601 Å) 主引用文献 Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
5BQG	Crystal Structure of mPGES-1 Bound to an Inhibitor 分子名称: 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... 著者 Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. 登録日 2015-05-29 公開日 2016-04-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.436 Å) 主引用文献 Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
5BQI	Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain 分子名称: (2-hydroxyethoxy)acetaldehyde, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ... 著者 Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. 登録日 2015-05-29 公開日 2016-04-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
6G9S	Structural basis for the inhibition of E. coli PBP2 分子名称: (3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid, Peptidoglycan D,D-transpeptidase MrdA 著者 Ruff, M, Levy, N. 登録日 2018-04-11 公開日 2019-05-22 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.001 Å) 主引用文献 Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design. J.Med.Chem., 62, 2019

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