4LFU
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![BU of 4lfu by Molmil](/molmil-images/mine/4lfu) | Crystal structure of Escherichia coli SdiA in the space group C2 | 分子名称: | CHLORIDE ION, Regulatory protein SdiA, TETRAETHYLENE GLYCOL | 著者 | Kim, T, Duong, T, Wu, C.A, Choi, J, Lan, N, Kang, S.W, Lokanath, N.K, Shin, D, Hwang, H.Y, Kim, K.K. | 登録日 | 2013-06-27 | 公開日 | 2014-03-19 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Structural insights into the molecular mechanism of Escherichia coli SdiA, a quorum-sensing receptor Acta Crystallogr.,Sect.D, 70, 2014
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3F22
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![BU of 3f22 by Molmil](/molmil-images/mine/3f22) | Crystal structure of Zalpha in complex with d(CGTACG) | 分子名称: | DNA (5'-D(*DTP*DCP*DGP*DTP*DAP*DCP*DG)-3'), Double-stranded RNA-specific adenosine deaminase | 著者 | Ha, S.C, Choi, J, Kim, K.K. | 登録日 | 2008-10-28 | 公開日 | 2008-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The structures of non-CG-repeat Z-DNAs co-crystallized with the Z-DNA-binding domain, hZ{alpha}ADAR1 Nucleic Acids Res., 37, 2009
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1PN5
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![BU of 1pn5 by Molmil](/molmil-images/mine/1pn5) | NMR structure of the NALP1 Pyrin domain (PYD) | 分子名称: | NACHT-, LRR- and PYD-containing protein 2 | 著者 | Hiller, S, Kohl, A, Fiorito, F, Herrmann, T, Wider, G, Tschopp, J, Grutter, M.G, Wuthrich, K. | 登録日 | 2003-06-12 | 公開日 | 2003-10-07 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of the apoptosis- and inflammation-related NALP1 pyrin domain Structure, 11, 2003
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3G7M
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![BU of 3g7m by Molmil](/molmil-images/mine/3g7m) | Structure of the thaumatin-like xylanase inhibitor TLXI | 分子名称: | GLYCEROL, SODIUM ION, Xylanase inhibitor TL-XI | 著者 | Vandermarliere, E, Courtin, C.M, Lammens, W, Schoepe, J, Strelkov, S.V. | 登録日 | 2009-02-10 | 公開日 | 2010-03-16 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Crystal structure of the noncompetitive xylanase inhibitor TLXI, member of the small thaumatin-like protein family. Proteins, 78, 2010
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3F21
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![BU of 3f21 by Molmil](/molmil-images/mine/3f21) | Crystal structure of Zalpha in complex with d(CACGTG) | 分子名称: | DNA (5'-D(*DTP*DCP*DAP*DCP*DGP*DTP*DG)-3'), Double-stranded RNA-specific adenosine deaminase | 著者 | Ha, S.C, Choi, J, Kim, K.K. | 登録日 | 2008-10-28 | 公開日 | 2008-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The structures of non-CG-repeat Z-DNAs co-crystallized with the Z-DNA-binding domain, hZ{alpha}ADAR1 Nucleic Acids Res., 37, 2009
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2KQU
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4DIP
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![BU of 4dip by Molmil](/molmil-images/mine/4dip) | Crystal structure of human Peptidyl-prolyl cis-trans isomerase FKBP14 | 分子名称: | PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase FKBP14, SODIUM ION | 著者 | Krojer, T, Kiyani, W, Goubin, S, Muniz, J.R.C, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Oppermann, U, Zschocke, J, Yue, W.W, Structural Genomics Consortium (SGC) | 登録日 | 2012-01-31 | 公開日 | 2012-02-22 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Crystal structure of human Peptidyl-prolyl cis-trans isomerase FKBP14 To be Published
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1TXM
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![BU of 1txm by Molmil](/molmil-images/mine/1txm) | SCORPION TOXIN (MAUROTOXIN) FROM SCORPIO MAURUS, NMR, 35 STRUCTURES | 分子名称: | MAUROTOXIN | 著者 | Blanc, E, Sabatier, J.-M, Kharrat, R, Meunier, S, El Ayeb, M, Van Rietschoten, J, Darbon, H. | 登録日 | 1996-11-19 | 公開日 | 1997-06-05 | 最終更新日 | 2022-03-02 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of maurotoxin, a scorpion toxin from Scorpio maurus, with high affinity for voltage-gated potassium channels. Proteins, 29, 1997
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3QDL
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![BU of 3qdl by Molmil](/molmil-images/mine/3qdl) | Crystal structure of RdxA from Helicobacter pyroli | 分子名称: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Oxygen-insensitive NADPH nitroreductase | 著者 | Rojas, A.L, Martinez-Julvez, M, Olekhnovich, I.N, Hoffman, P.S, Sancho, J. | 登録日 | 2011-01-18 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of RdxA--an oxygen-insensitive nitroreductase essential for metronidazole activation in Helicobacter pylori. Febs J., 279, 2012
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1O3T
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![BU of 1o3t by Molmil](/molmil-images/mine/1o3t) | PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES | 分子名称: | 5'-D(*CP*TP*AP*GP*AP*TP*CP*GP*CP*AP*TP*TP*TP*TP*TP*CP*G)-3', 5'-D(*GP*CP*GP*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ... | 著者 | Chen, S, Vojtechovsky, J, Parkinson, G.N, Ebright, R.H, Berman, H.M. | 登録日 | 2003-03-18 | 公開日 | 2003-04-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex:
DNA Binding Specificity Based on Energetics of DNA Kinking J.Mol.Biol., 314, 2001
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1Q01
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![BU of 1q01 by Molmil](/molmil-images/mine/1q01) | Lebetin peptides, a new class of potent aggregation inhibitors | 分子名称: | lebetin 2 isoform alpha | 著者 | Mosbah, A, Marrakchi, N, Ganzalez, M.J, Van Rietschoten, J, Giralt, E, El Ayeb, M, Rochat, H, Sabatier, J.M, Darbon, H, Mabrouk, K. | 登録日 | 2003-07-15 | 公開日 | 2005-05-03 | 最終更新日 | 2022-03-02 | 実験手法 | SOLUTION NMR | 主引用文献 | Lebetin peptides, a new class of potent aggregation inhibitors To be Published
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1QC9
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1PNH
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![BU of 1pnh by Molmil](/molmil-images/mine/1pnh) | SOLUTION STRUCTURE OF PO5-NH2, A SCORPION TOXIN ANALOG WITH HIGH AFFINITY FOR THE APAMIN-SENSITIVE POTASSIUM CHANNEL | 分子名称: | SCORPION TOXIN | 著者 | Meunier, S, Bernassau, J.-M, Sabatier, J.-M, Martin-Eauclaire, M.-F, Van Rietschoten, J, Cambillau, C, Darbon, H. | 登録日 | 1993-08-25 | 公開日 | 1994-01-31 | 最終更新日 | 2017-11-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of P05-NH2, a scorpion toxin analog with high affinity for the apamin-sensitive potassium channel. Biochemistry, 32, 1993
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1QPS
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![BU of 1qps by Molmil](/molmil-images/mine/1qps) | THE CRYSTAL STRUCTURE OF A POST-REACTIVE COGNATE DNA-ECO RI COMPLEX AT 2.50 A IN THE PRESENCE OF MN2+ ION | 分子名称: | 5'-D(*AP*AP*TP*TP*CP*GP*CP*GP*)-3', 5'-D(*TP*CP*GP*CP*GP*)-3', ENDONUCLEASE ECORI, ... | 著者 | Horvath, M, Choi, J, Kim, Y, Wilkosz, P, Rosenberg, J.M. | 登録日 | 1999-05-28 | 公開日 | 1999-06-14 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Integration of Recognition and Cleavage: X-Ray Structures of Pre- Transition State and Post-Reactive DNA-Eco RI Endonuclease Complexes To be Published
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2W5U
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![BU of 2w5u by Molmil](/molmil-images/mine/2w5u) | Flavodoxin from Helicobacter pylori in complex with the C3 inhibitor | 分子名称: | FLAVIN MONONUCLEOTIDE, Flavodoxin, [2-(5-amino-4-cyano-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium | 著者 | Cremades, N, Perez-Dorado, I, Hermoso, J.A, Martinez-Julvez, M, Sancho, J. | 登録日 | 2008-12-12 | 公開日 | 2009-12-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Discovery of Specific Flavodoxin Inhibitors as Potential Therapeutic Agents Against Helicobacter Pylori Infection. Acs Chem.Biol., 4, 2009
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2WI6
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![BU of 2wi6 by Molmil](/molmil-images/mine/2wi6) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | 分子名称: | 2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE, HEAT SHOCK PROTEIN, HSP90-ALPHA | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | 登録日 | 2009-05-08 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI1
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![BU of 2wi1 by Molmil](/molmil-images/mine/2wi1) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | 分子名称: | 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | 登録日 | 2009-05-08 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI5
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![BU of 2wi5 by Molmil](/molmil-images/mine/2wi5) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | 分子名称: | 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | 登録日 | 2009-05-08 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI3
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![BU of 2wi3 by Molmil](/molmil-images/mine/2wi3) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | 分子名称: | 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, HEAT SHOCK PROTEIN, HSP 90-ALPHA, ... | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | 登録日 | 2009-05-08 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI7
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![BU of 2wi7 by Molmil](/molmil-images/mine/2wi7) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | 分子名称: | 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | 登録日 | 2009-05-08 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI2
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![BU of 2wi2 by Molmil](/molmil-images/mine/2wi2) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | 分子名称: | 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | 登録日 | 2009-05-08 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI4
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![BU of 2wi4 by Molmil](/molmil-images/mine/2wi4) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | 分子名称: | 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine, HEAT SHOCK PROTEIN, HSP 90-ALPHA | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | 登録日 | 2009-05-08 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2R9U
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2RVJ
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2WPA
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![BU of 2wpa by Molmil](/molmil-images/mine/2wpa) | Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE, ... | 著者 | Brasca, M.G, Albanese, C, Alzani, R, Amici, R, Avanzi, N, Ballinari, D, Bischoff, J, Borghi, D, Casale, E, Croci, V, Fiorentini, F, Isacchi, A, Mercurio, C, Nesi, M, Orsini, P, Pastori, W, Pesenti, E, Pevarello, P, Roussel, P, Varasi, M, Volpi, D, Vulpetti, A, Ciomei, M. | 登録日 | 2009-08-03 | 公開日 | 2010-02-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Optimization of 6,6-Dimethyl Pyrrolo[3,4-C]Pyrazoles: Identification of Pha-793887, a Potent Cdk Inhibitor Suitable for Intravenous Dosing. Bioorg.Med.Chem., 18, 2010
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