PDB: 10704 件ウェブページステータス検索Chemie searchBIRD

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5WTR	Crystal structure of a prokaryotic TRIC channel in 0.5 M KCl 分子名称: 1,2-ETHANEDIOL, POTASSIUM ION, TRISTEAROYLGLYCEROL, ... 著者 Ou, X.M, Wang, L.F, Yang, H.T, Liu, X.Y, Liu, Z.F. 登録日 2016-12-14 公開日 2017-04-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Ion and water binding sites inside an occluded hourglass pore of a TRIC channel BMC BIOL., 2017
5W1B	Tryptophan indole-lyase 分子名称: POTASSIUM ION, Tryptophanase 著者 Phillips, R.S, Wood, Z.A. 登録日 2017-06-02 公開日 2018-06-06 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The crystal structure of Proteus vulgaris tryptophan indole-lyase complexed with oxindolyl-L-alanine: implications for the reaction mechanism. Acta Crystallogr D Struct Biol, 74, 2018
5VGY	Identification of a New Zinc Binding Chemotype by Fragment Screening 分子名称: (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one, Carbonic anhydrase 2, SODIUM ION, ... 著者 Peat, T.S. 登録日 2017-04-11 公開日 2017-08-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
3BO1	Ribosome-SecY complex 分子名称: 23S RIBOSOMAL RNA, PREPROTEIN TRANSLOCASE SecE SUBUNIT, PREPROTEIN TRANSLOCASE SecY SUBUNIT, ... 著者 Akey, C.W, Menetret, J.F. 登録日 2007-12-15 公開日 2008-12-09 最終更新日 2024-02-21 実験手法 ELECTRON MICROSCOPY (9.6 Å) 主引用文献 Ribosome binding of a single copy of the SecY complex: implications for protein translocation Mol.Cell, 28, 2007
3EH3	Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus 分子名称: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... 著者 Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A. 登録日 2008-09-11 公開日 2009-04-21 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme. Biochemistry, 48, 2009
3EH5	Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus 分子名称: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... 著者 Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A. 登録日 2008-09-11 公開日 2009-04-21 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme. Biochemistry, 48, 2009
3DJ5	Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 290. 分子名称: 3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide, serine/threonine kinase 6 著者 Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. 登録日 2008-06-22 公開日 2009-05-05 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 New fragment-based drug discovery To be Published
3DJ6	Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 823. 分子名称: 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide, serine/threonine kinase 6 著者 Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. 登録日 2008-06-22 公開日 2009-05-05 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 New fragment-based drug discovery To be Published
3D2I	Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylamino)-ethyl]-thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea 分子名称: 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6 著者 Oslob, J.D, Yu, C, Romanowski, M.J. 登録日 2008-05-08 公開日 2009-05-12 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Discovery of Aurora-A-selective inhibitors To be Published
3D2K	Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with [7-(2-{2-[3-(3-chloro-phenyl)-ureido]-thiazol-5-yl}-ethylamino)-pyrazolo[4,3-d]pyrimidin-1-yl]-acetic acid 分子名称: (7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid, serine/threonine kinase 6 著者 Elling, R.A, Oslob, J.D, Yu, C, Romanowski, M.J. 登録日 2008-05-08 公開日 2009-05-12 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Discovery of Aurora-A-selective inhibitors To be Published
3D14	Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea 分子名称: 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6 著者 Elling, R.A, Baskaran, S, Allen, D.A, Oslob, J.D, Romanowski, M.J. 登録日 2008-05-04 公開日 2008-08-26 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of a potent and selective aurora kinase inhibitor. Bioorg.Med.Chem.Lett., 18, 2008
3ESP	Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-3,5-dimethyl-4-hydroxybenzamide 分子名称: N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide, Transthyretin 著者 Connelly, S, Wilson, I.A. 登録日 2008-10-06 公開日 2009-04-07 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies. J.Med.Chem., 52, 2009
3E1N	Crystal structure of E. coli Bacterioferritin (BFR) after a 65 minute (aerobic) exposure to FE(II) revealing a possible MU-OXO bridge/MU-Hydroxy bridged DIIRON intermediate at the ferroxidase centre. (FE(III)-O-FE(III)-BFR). 分子名称: BACTERIOFERRITIN, FE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Crow, A, Lawson, T, Lewin, A, Moore, G.R, Le Brun, N. 登録日 2008-08-04 公開日 2009-05-05 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural basis for iron mineralization by bacterioferritin J.Am.Chem.Soc., 131, 2009
3DL5	Crystal Structure of the A287F Active Site Mutant of TS-DHFR from Cryptosporidium hominis 分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DIHYDROFOLIC ACID, ... 著者 Vargo, M.A, Martucci, W.E, Anderson, K.S. 登録日 2008-06-26 公開日 2008-08-19 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase. Biochemistry, 47, 2008
3DWW	Electron crystallographic structure of human microsomal prostaglandin E synthase 1 分子名称: GLUTATHIONE, Prostaglandin E synthase 著者 Hebert, H, Jegerschold, C. 登録日 2008-07-23 公開日 2009-07-28 最終更新日 2024-03-20 実験手法 ELECTRON CRYSTALLOGRAPHY (3.5 Å) 主引用文献 Structural basis for induced formation of the inflammatory mediator prostaglandin E2 Proc.Natl.Acad.Sci.USA, 105, 2008
3D15	Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-(3-chloro-phenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)- ethyl]-thiazol-2-yl}-urea [SNS-314] 分子名称: 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea, serine/threonine kinase 6 著者 Elling, R.A, Bui, M, Allen, D.A, Oslob, J.D, Romanowski, M.J. 登録日 2008-05-04 公開日 2009-05-12 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of a potent and selective aurora kinase inhibitor. Bioorg.Med.Chem.Lett., 18, 2008
3ESO	Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,5-dichlorobenzamide 分子名称: 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide, Transthyretin 著者 Connelly, S, Wilson, I.A. 登録日 2008-10-06 公開日 2009-04-07 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies. J.Med.Chem., 52, 2009
3EQL	Crystal structure of the T. Thermophilus RNA polymerase holoenzyme in complex with antibiotic myxopyronin 分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... 著者 Vassylyev, D.G, Vassylyeva, M.N, Artsimovitch, I. 登録日 2008-09-30 公開日 2008-10-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Transcription inactivation through local refolding of the RNA polymerase structure. Nature, 457, 2009
3ESN	Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide 分子名称: N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide, Transthyretin 著者 Connelly, S, Wilson, I.A. 登録日 2008-10-06 公開日 2009-04-07 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies. J.Med.Chem., 52, 2009
3DL6	Crystal Structure of the A287F/S290G Active Site Mutant of TS-DHFR from Cryptosporidium hominis 分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DIHYDROFOLIC ACID, ... 著者 Martucci, W.E, Vargo, M.A, Anderson, K.S. 登録日 2008-06-26 公開日 2008-08-19 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (3.25 Å) 主引用文献 Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase. Biochemistry, 47, 2008
3F2E	Crystal structure of Yellowstone SIRV coat protein C-terminus 分子名称: CITRIC ACID, SIRV coat protein 著者 Taurog, R.E, Szymczyna, B.R, Williamson, J.R, Johnson, J.E. 登録日 2008-10-29 公開日 2009-04-21 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.668 Å) 主引用文献 Synergy of NMR, computation, and X-ray crystallography for structural biology. Structure, 17, 2009
3DJ7	Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 130. 分子名称: 1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6 著者 Elling, R.A, Yang, W, Erlanson, D.A, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. 登録日 2008-06-22 公開日 2009-05-05 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 New fragment-based drug discovery To be Published
3FI1	NhaA dimer model 分子名称: Na(+)/H(+) antiporter nhaA 著者 Appel, M, Hizlan, D, Vinothkumar, K.R, Ziegler, C, Kuehlbrandt, W. 登録日 2008-12-10 公開日 2009-01-13 最終更新日 2024-02-21 実験手法 ELECTRON CRYSTALLOGRAPHY (7 Å) 主引用文献 Conformations of NhaA, the Na/H exchanger from Escherichia coli, in the pH-activated and ion-translocating states J.Mol.Biol., 386, 2009
3EH4	Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus 分子名称: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... 著者 Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A. 登録日 2008-09-11 公開日 2009-04-21 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme. Biochemistry, 48, 2009
5QGS	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000476a 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, N-(4-chlorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]urea, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published

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