2XNZ
| xpt-pbuX C74U Riboswitch from B. subtilis bound to acetoguanamine identified by virtual screening | 分子名称: | 6-METHYL-1,3,5-TRIAZINE-2,4-DIAMINE, ACETATE ION, COBALT HEXAMMINE(III), ... | 著者 | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R. | 登録日 | 2010-08-06 | 公開日 | 2011-04-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Novel ligands for a purine riboswitch discovered by RNA-ligand docking. Chem. Biol., 18, 2011
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2XPH
| Crystal structure of human SENP1 with the bound cobalt | 分子名称: | COBALT (II) ION, GLYCEROL, SENTRIN-SPECIFIC PROTEASE 1 | 著者 | Rimsa, V, Eadsforth, T, Hay, R.T, Hunter, W.N. | 登録日 | 2010-08-26 | 公開日 | 2010-09-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The Role of Co2+ in the Crystallization of Human Senp1 and Comments on the Limitations of Automated Refinement Protocols Acta Crystallogr.,Sect.F, 67, 2011
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2YIF
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2YCB
| Structure of the archaeal beta-CASP protein with N-terminal KH domains from Methanothermobacter thermautotrophicus | 分子名称: | CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR, PHOSPHATE ION, POTASSIUM ION, ... | 著者 | Silva, A.P.G, Chechik, M, Byrne, R.T, Waterman, D.G, Ng, C.L, Dodson, E.J, Koonin, E.V, Antson, A.A, Smits, C. | 登録日 | 2011-03-13 | 公開日 | 2011-05-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure and Activity of a Novel Archaeal Beta-Casp Protein with N-Terminal Kh Domains. Structure, 19, 2011
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2AUX
| Cathepsin K complexed with a semicarbazone inhibitor | 分子名称: | (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE, Cathepsin K | 著者 | Adkison, K.K, Barrett, D.G, Deaton, D.N, Gampe, R.T, Hassell, A.M, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M. | 登録日 | 2005-08-29 | 公開日 | 2006-08-08 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Bioorg.Med.Chem.Lett., 16, 2006
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2YNI
| HIV-1 Reverse Transcriptase in complex with inhibitor GSK952 | 分子名称: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | 著者 | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | 登録日 | 2012-10-15 | 公開日 | 2013-01-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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2YNF
| HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560 | 分子名称: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | 著者 | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | 登録日 | 2012-10-14 | 公開日 | 2013-01-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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2AUZ
| Cathepsin K complexed with a semicarbazone inhibitor | 分子名称: | 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE, Cathepsin K, SULFATE ION | 著者 | Adkison, K.K, Barrett, D.G, Deaton, D.N, Gampe, R.T, Hassell, A.M, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M. | 登録日 | 2005-08-29 | 公開日 | 2006-08-08 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Bioorg.Med.Chem.Lett., 16, 2006
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2AZK
| Crystal structure for the mutant W136E of Sulfolobus solfataricus hexaprenyl pyrophosphate synthase | 分子名称: | Geranylgeranyl pyrophosphate synthetase | 著者 | Sun, H.Y, Ko, T.P, Kuo, C.J, Guo, R.T, Chou, C.C, Liang, P.H, Wang, A.H.J. | 登録日 | 2005-09-12 | 公開日 | 2006-03-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Homodimeric hexaprenyl pyrophosphate synthase from the thermoacidophilic crenarchaeon Sulfolobus solfataricus displays asymmetric subunit structures J.Bacteriol., 187, 2005
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2ZT7
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2ZT5
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2ZB7
| Crystal structure of human 15-ketoprostaglandin delta-13-reductase in complex with NADPH and nicotinamide | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, Prostaglandin reductase 2 | 著者 | Wu, Y.H, Wang, A.H.J, Ko, T.P, Guo, R.T, Hu, S.M, Chuang, L.M. | 登録日 | 2007-10-16 | 公開日 | 2008-09-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2. Structure, 16, 2008
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2AZL
| Crystal structure for the mutant F117E of Thermotoga maritima octaprenyl pyrophosphate synthase | 分子名称: | octoprenyl-diphosphate synthase | 著者 | Sun, H.Y, Ko, T.P, Kuo, C.J, Guo, R.T, Chou, C.C, Liang, P.H, Wang, A.H. | 登録日 | 2005-09-12 | 公開日 | 2006-03-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Homodimeric hexaprenyl pyrophosphate synthase from the thermoacidophilic crenarchaeon Sulfolobus solfataricus displays asymmetric subunit structures J.Bacteriol., 187, 2005
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2XO0
| xpt-pbuX C74U Riboswitch from B. subtilis bound to 24-diamino-1,3,5- triazine identified by virtual screening | 分子名称: | 1,3,5-TRIAZINE-2,4-DIAMINE, ACETATE ION, COBALT HEXAMMINE(III), ... | 著者 | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R. | 登録日 | 2010-08-09 | 公開日 | 2011-04-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Novel ligands for a purine riboswitch discovered by RNA-ligand docking. Chem. Biol., 18, 2011
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1QEY
| NMR Structure Determination of the Tetramerization Domain of the MNT Repressor: An Asymmetric A-Helical Assembly in Slow Exchange | 分子名称: | PROTEIN (REGULATORY PROTEIN MNT) | 著者 | Nooren, I.M.A, George, A.V.E, Kaptein, R, Sauer, R.T, Boelens, R. | 登録日 | 1999-04-03 | 公開日 | 1999-08-18 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | The tetramerization domain of the Mnt repressor consists of two right-handed coiled coils. Nat.Struct.Biol., 6, 1999
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2YNH
| HIV-1 Reverse Transcriptase in complex with inhibitor GSK500 | 分子名称: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, P51 RT, ... | 著者 | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | 登録日 | 2012-10-14 | 公開日 | 2013-01-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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2YNG
| HIV-1 Reverse Transcriptase in complex with inhibitor GSK560 | 分子名称: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, MAGNESIUM ION, P51 RT, ... | 著者 | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | 登録日 | 2012-10-14 | 公開日 | 2013-01-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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2YIX
| Triazolopyridine Inhibitors of p38 | 分子名称: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | 登録日 | 2011-05-17 | 公開日 | 2011-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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2YIS
| triazolopyridine inhibitors of p38 kinase. | 分子名称: | 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Millan, D.S, Anderson, M, Bazin, R, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniack, M.H, Yeadon, M. | 登録日 | 2011-05-16 | 公開日 | 2011-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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2BB8
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2ZT8
| Crystal structure of human Glycyl-tRNA synthetase (GlyRS) in complex with Gly-AMP analog | 分子名称: | Glycyl-tRNA synthetase, [(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate | 著者 | Guo, R.T, Yang, X.L, Schimmel, P. | 登録日 | 2008-09-19 | 公開日 | 2009-08-25 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Crystal structures and biochemical analyses suggest unique mechanism and role for human GlyRS in Ap4A homeostasis To be Published
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1YWN
| Vegfr2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine | 分子名称: | N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA, Vascular endothelial growth factor receptor 2 | 著者 | Miyazaki, Y, Matsunaga, S, Tang, J, Maeda, Y, Nakano, M, Philippe, R.J, Shibahara, M, Liu, W, Sato, H, Wang, L, Nolte, R.T. | 登録日 | 2005-02-18 | 公開日 | 2005-08-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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2ZXF
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2ZYS
| A. Fulgidus lipase with fatty acid fragment and chloride | 分子名称: | CHLORIDE ION, Lipase, putative, ... | 著者 | Chen, C.K, Ko, T.P, Guo, R.T, Wang, A.H. | 登録日 | 2009-01-29 | 公開日 | 2009-06-16 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure of the alkalohyperthermophilic Archaeoglobus fulgidus lipase contains a unique C-terminal domain essential for long-chain substrate binding. J.Mol.Biol., 390, 2009
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2XB7
| Structure of Human Anaplastic Lymphoma Kinase in complex with NVP- TAE684 | 分子名称: | 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, ALK TYROSINE KINASE RECEPTOR | 著者 | Bossi, R.T, Saccardo, M.B, Ardini, E, Menichincheri, M, Rusconi, L, Magnaghi, P, Orsini, P, Fogliatto, G, Bertrand, J.A. | 登録日 | 2010-04-08 | 公開日 | 2010-07-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors. Biochemistry, 49, 2010
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