PDB: 17091 件ウェブページステータス検索Chemie searchBIRD

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3NAM	SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative dOTg 分子名称: (3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... 著者 Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. 登録日 2010-06-02 公開日 2010-06-30 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs J.Biol.Chem., 285, 2010
3NAL	SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative DTB 分子名称: (3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate, MAGNESIUM ION, POTASSIUM ION, ... 著者 Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. 登録日 2010-06-02 公開日 2010-06-30 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs J.Biol.Chem., 285, 2010
3NHN	Crystal structure of the SRC-family kinase HCK SH3-SH2-linker regulatory region 分子名称: Tyrosine-protein kinase HCK 著者 Alvarado, J.J, Betts, L, Moroco, J.A, Smithgall, T.E, Yeh, J.I. 登録日 2010-06-14 公開日 2010-09-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Crystal Structure of the Src Family Kinase Hck SH3-SH2 Linker Regulatory Region Supports an SH3-dominant Activation Mechanism. J.Biol.Chem., 285, 2010
3N4Y	Crystal structure of wild-type T. celer L30e in low ionic strength condition without precipitant 分子名称: 50S ribosomal protein L30e 著者 Chan, C.H, Wong, K.B. 登録日 2010-05-24 公開日 2010-06-09 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Electrostatic contribution of surface charge residues to the stability of a thermophilic protein: benchmarking experimental and predicted pKa values Plos One, 7, 2012
7NEO	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 15 分子名称: 2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2021-02-04 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
1BM7	HUMAN TRANSTHYRETIN (PREALBUMIN) COMPLEX WITH FLUFENAMIC ACID (2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID) 分子名称: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, PROTEIN (TRANSTHYRETIN) 著者 Klabunde, T, Kelly, J.W, Sacchettini, J.C. 登録日 1998-07-29 公開日 1998-08-05 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Inhibiting transthyretin conformational changes that lead to amyloid fibril formation. Proc.Natl.Acad.Sci.USA, 95, 1998
7NBT	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 21 分子名称: 2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Talibov, V.O. 登録日 2021-01-27 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
1BYZ	DESIGNED PEPTIDE ALPHA-1, P1 FORM 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... 著者 Prive, G.G, Anderson, D.H, Wesson, L, Cascio, D, Eisenberg, D. 登録日 1998-10-20 公開日 1998-10-28 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (0.9 Å) 主引用文献 Packed protein bilayers in the 0.90 A resolution structure of a designed alpha helical bundle. Protein Sci., 8, 1999
8F9Z	Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14204, an HIV-1 gp120 antagonist 分子名称: (5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Kwon, Y.D, Kwong, P.D. 登録日 2022-11-25 公開日 2023-01-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Antiviral Activity and Crystal Structures of HIV-1 gp120 Antagonists. Int J Mol Sci, 23, 2022
8FA0	Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14208, an HIV-1 gp120 antagonist 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... 著者 Kwon, Y.D, Kwong, P.D. 登録日 2022-11-25 公開日 2023-01-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Antiviral Activity and Crystal Structures of HIV-1 gp120 Antagonists. Int J Mol Sci, 23, 2022
1BVU	GLUTAMATE DEHYDROGENASE FROM THERMOCOCCUS LITORALIS 分子名称: PROTEIN (GLUTAMATE DEHYDROGENASE) 著者 Baker, P.J, Britton, K.L, Yip, K.S, Stillman, T.J, Rice, D.W. 登録日 1999-07-20 公開日 1999-09-18 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure determination of the glutamate dehydrogenase from the hyperthermophile Thermococcus litoralis and its comparison with that from Pyrococcus furiosus J.Mol.Biol., 293, 1999
3O1H	Crystal Structure of the TorS sensor domain - TorT complex in the presence of TMAO 分子名称: Periplasmic protein TorT, Sensor protein TorS, trimethylamine oxide 著者 Moore, J.O, Hendrickson, W.A. 登録日 2010-07-21 公開日 2011-12-21 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 An asymmetry-to-symmetry switch in signal transmission by the histidine kinase receptor for TMAO. Structure, 20, 2012
1BU9	SOLUTION STRUCTURE OF P18-INK4C, 21 STRUCTURES 分子名称: PROTEIN (CYCLIN-DEPENDENT KINASE 6 INHIBITOR) 著者 Byeon, I.-J.L, Li, J, Tsai, M.-D. 登録日 1998-09-15 公開日 1999-09-13 最終更新日 2023-12-27 実験手法 SOLUTION NMR 主引用文献 Tumor suppressor INK4: determination of the solution structure of p18INK4C and demonstration of the functional significance of loops in p18INK4C and p16INK4A. Biochemistry, 38, 1999
3O1J	Crystal Structure of the TorS sensor domain - TorT complex in the absence of isopropanol 分子名称: ISOPROPYL ALCOHOL, Periplasmic protein TorT, Sensor protein TorS 著者 Moore, J.O, Hendrickson, W.A. 登録日 2010-07-21 公開日 2011-12-21 最終更新日 2013-03-27 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 An asymmetry-to-symmetry switch in signal transmission by the histidine kinase receptor for TMAO. Structure, 20, 2012
4DDC	EVAL processed HEWL, cisplatin DMSO NAG silicone oil 分子名称: Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C 著者 Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. 登録日 2012-01-18 公開日 2012-04-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
4DD7	EVAL processed HEWL, carboplatin DMSO glycerol 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Lysozyme C, ... 著者 Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. 登録日 2012-01-18 公開日 2012-04-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
3O1I	Crystal Structure of the TorS sensor domain - TorT complex in the absence of ligand 分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Periplasmic protein TorT, Sensor protein TorS 著者 Moore, J.O, Hendrickson, W.A. 登録日 2010-07-21 公開日 2011-12-21 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 An asymmetry-to-symmetry switch in signal transmission by the histidine kinase receptor for TMAO. Structure, 20, 2012
1BEE	HALOALKANE DEHALOGENASE MUTANT WITH TRP 175 REPLACED BY TYR 分子名称: HALOALKANE DEHALOGENASE 著者 Ridder, I.S, Vos, G.J, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W. 登録日 1998-05-13 公開日 1998-11-11 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Kinetic analysis and X-ray structure of haloalkane dehalogenase with a modified halide-binding site. Biochemistry, 37, 1998
1C7T	BETA-N-ACETYLHEXOSAMINIDASE MUTANT E540D COMPLEXED WITH DI-N ACETYL-D-GLUCOSAMINE (CHITOBIASE) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE, SULFATE ION 著者 Prag, G, Papanikolau, Y, Tavlas, G, Vorgias, C.E, Petratos, K, Oppenheim, A.B. 登録日 2000-03-17 公開日 2000-09-20 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structures of chitobiase mutants complexed with the substrate Di-N-acetyl-d-glucosamine: the catalytic role of the conserved acidic pair, aspartate 539 and glutamate 540. J.Mol.Biol., 300, 2000
7O46	Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17 分子名称: 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5 著者 Talibov, V.O. 登録日 2021-04-05 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
4DD1	EVAL processed HEWL, cisplatin aqueous paratone 分子名称: 2-methylprop-1-ene, Lysozyme C 著者 Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. 登録日 2012-01-18 公開日 2012-04-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
4DDA	EVAL processed HEWL, NAG 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme C 著者 Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. 登録日 2012-01-18 公開日 2012-04-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
4DD2	EVAL processed HEWL, carboplatin aqueous glycerol 分子名称: GLYCEROL, Lysozyme C 著者 Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. 登録日 2012-01-18 公開日 2012-04-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
1AHO	THE AB INITIO STRUCTURE DETERMINATION AND REFINEMENT OF A SCORPION PROTEIN TOXIN 分子名称: TOXIN II 著者 Smith, G.D, Blessing, R.H, Ealick, S.E, Fontecilla-Camps, J.C, Hauptman, H.A, Housset, D, Langs, D.A, Miller, R. 登録日 1997-04-08 公開日 1997-10-15 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (0.96 Å) 主引用文献 Ab initio structure determination and refinement of a scorpion protein toxin. Acta Crystallogr.,Sect.D, 53, 1997
1A97	XPRTASE FROM E. COLI COMPLEXED WITH GMP 分子名称: BORIC ACID, GUANOSINE-5'-MONOPHOSPHATE, XANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE 著者 Vos, S, Parry, R.J, Burns, M.R, De Jersey, J, Martin, J.L. 登録日 1998-04-16 公開日 1998-11-11 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase. J.Mol.Biol., 282, 1998

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