5O8W
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![BU of 5o8w by Molmil](/molmil-images/mine/5o8w) | CRYSTAL STRUCTURE ANALYSIS OF THE YEAST ELONGATION FACTOR COMPLEX EEF1A:EEF1BA | 分子名称: | Elongation factor 1-alpha, Elongation factor 1-beta, GLUTAMINE, ... | 著者 | Wirth, C, Andersen, G.R, Hunte, C. | 登録日 | 2017-06-14 | 公開日 | 2017-08-23 | 最終更新日 | 2019-07-17 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Protein glutaminylation is a yeast-specific posttranslational modification of elongation factor 1A. J. Biol. Chem., 292, 2017
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1JBP
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![BU of 1jbp by Molmil](/molmil-images/mine/1jbp) | Crystal Structure of the Catalytic Subunit of cAMP-dependent Protein Kinase Complexed with a Substrate Peptide, ADP and Detergent | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, MUSCLE/BRAIN FORM, ... | 著者 | Madhusudan, Trafny, E.A, Xuong, N.H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M. | 登録日 | 2001-06-06 | 公開日 | 2001-06-27 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer. Protein Sci., 3, 1994
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5O19
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5O20
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![BU of 5o20 by Molmil](/molmil-images/mine/5o20) | Structure of Nrd1 RNA binding domain in complex with RNA (UUAGUAAUCC) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Protein NRD1, RNA (5'-R(*UP*AP*GP*UP*AP*AP*UP*C)-3') | 著者 | Franco-Echevarria, E, Perez-Canadillas, J.M, Gonzalez, B. | 登録日 | 2017-05-19 | 公開日 | 2017-08-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.53 Å) | 主引用文献 | The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition. Nucleic Acids Res., 45, 2017
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5O54
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![BU of 5o54 by Molmil](/molmil-images/mine/5o54) | Glycogen Phosphorylase b in complex with 29a | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ... | 著者 | Kyriakis, E, Solovou, T.G.A, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D. | 登録日 | 2017-05-31 | 公開日 | 2017-09-27 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Nanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study. J. Med. Chem., 60, 2017
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3JVK
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![BU of 3jvk by Molmil](/molmil-images/mine/3jvk) | Crystal structure of bromodomain 1 of mouse Brd4 in complex with histone H3-K(ac)14 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, histone H3.3 peptide | 著者 | Vollmuth, F, Blankenfeldt, W, Geyer, M. | 登録日 | 2009-09-17 | 公開日 | 2009-10-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structures of the Dual Bromodomains of the P-TEFb-activating Protein Brd4 at Atomic Resolution J.Biol.Chem., 284, 2009
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1IAT
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![BU of 1iat by Molmil](/molmil-images/mine/1iat) | CRYSTAL STRUCTURE OF HUMAN PHOSPHOGLUCOSE ISOMERASE/NEUROLEUKIN/AUTOCRINE MOTILITY FACTOR/MATURATION FACTOR | 分子名称: | BETA-MERCAPTOETHANOL, PHOSPHOGLUCOSE ISOMERASE, SULFATE ION | 著者 | Read, J.A, Pearce, J, Li, X, Muirhead, H, Chirgwin, J, Davies, C. | 登録日 | 2001-03-23 | 公開日 | 2001-05-30 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | The crystal structure of human phosphoglucose isomerase at 1.6 A resolution: implications for catalytic mechanism, cytokine activity and haemolytic anaemia. J.Mol.Biol., 309, 2001
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5QCZ
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![BU of 5qcz by Molmil](/molmil-images/mine/5qcz) | Crystal structure of BACE complex with BMC015 | 分子名称: | (4S)-4-{(S)-hydroxy[(3R,6R)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 | 著者 | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-12-01 | 公開日 | 2020-06-03 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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5QCR
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![BU of 5qcr by Molmil](/molmil-images/mine/5qcr) | Crystal structure of BACE complex with BMC026 | 分子名称: | 2-(butylamino)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide, Beta-secretase 1, SULFATE ION | 著者 | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-12-01 | 公開日 | 2020-06-03 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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5QD8
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![BU of 5qd8 by Molmil](/molmil-images/mine/5qd8) | Crystal structure of BACE complex with BMC003 | 分子名称: | (3S,14R,16S)-16-[(1R)-2-{[(4S)-2,2-dimethyl-6-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino}-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione, Beta-secretase 1 | 著者 | Ostermann, N, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-12-01 | 公開日 | 2020-06-03 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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3K2S
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![BU of 3k2s by Molmil](/molmil-images/mine/3k2s) | Solution structure of double super helix model | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Apolipoprotein A-I, CHOLESTEROL | 著者 | Wu, Z, Gogonea, V, Lee, X, Wagner, M.A, Li, X.-M, Huang, Y, Undurti, A, May, R.P, Haertlein, M, Moulin, M, Gutsche, I, Zaccai, G, Didonato, J.A, Hazen, L.S. | 登録日 | 2009-09-30 | 公開日 | 2010-04-07 | 最終更新日 | 2024-02-21 | 実験手法 | SOLUTION SCATTERING | 主引用文献 | Double superhelix model of high density lipoprotein. J.Biol.Chem., 284, 2009
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5QCV
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![BU of 5qcv by Molmil](/molmil-images/mine/5qcv) | Crystal structure of BACE complex with BMC023 | 分子名称: | (10S,13S)-13-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione, Beta-secretase 1 | 著者 | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-12-01 | 公開日 | 2020-06-03 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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5QDB
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![BU of 5qdb by Molmil](/molmil-images/mine/5qdb) | Crystal structure of BACE complex with BMC002 | 分子名称: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione, Beta-secretase 1 | 著者 | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-12-01 | 公開日 | 2020-06-03 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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3JSI
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![BU of 3jsi by Molmil](/molmil-images/mine/3jsi) | Human phosphodiesterase 9 in complex with inhibitor | 分子名称: | 6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | 著者 | Liu, S. | 登録日 | 2009-09-10 | 公開日 | 2009-12-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy. J.Med.Chem., 52, 2009
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5QD0
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![BU of 5qd0 by Molmil](/molmil-images/mine/5qd0) | Crystal structure of BACE complex withBMC006 | 分子名称: | (5S,8S,10R)-8-[(1R)-1-hydroxy-2-{[(5-propyl-1H-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione, Beta-secretase 1 | 著者 | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-12-01 | 公開日 | 2020-06-03 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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2VLK
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![BU of 2vlk by Molmil](/molmil-images/mine/2vlk) | The Structural Dynamics and Energetics of an Immunodominant T-cell Receptor are Programmed by its Vbeta Domain | 分子名称: | BETA-2-MICROGLOBULIN, FLU MATRIX PEPTIDE, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | 著者 | Ishizuka, J, Stewart-Jones, G, Van Der Merwe, A, Bell, J, Mcmichael, A, Jones, Y. | 登録日 | 2008-01-15 | 公開日 | 2008-01-22 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Structural Dynamics and Energetics of an Immunodominant T-Cell Receptor are Programmed by its Vbeta Domain Immunity, 28, 2008
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3JS2
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![BU of 3js2 by Molmil](/molmil-images/mine/3js2) | Crystal structure of minimal kinase domain of fibroblast growth factor receptor 1 in complex with 5-(2-thienyl)nicotinic acid | 分子名称: | 5-(2-thienyl)nicotinic acid, Basic fibroblast growth factor receptor 1, PHOSPHATE ION | 著者 | Bae, J.H, Ravindranathan, K.P, Mandiyan, V, Ekkati, A.R, Schlessinger, J, Jorgensen, W.L. | 登録日 | 2009-09-09 | 公開日 | 2010-02-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of novel fibroblast growth factor receptor 1 kinase inhibitors by structure-based virtual screening J.Med.Chem., 53, 2010
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3JSW
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![BU of 3jsw by Molmil](/molmil-images/mine/3jsw) | Human PDE9 in complex with selective inhibitor | 分子名称: | 6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | 著者 | Liu, S. | 登録日 | 2009-09-11 | 公開日 | 2009-12-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy. J.Med.Chem., 52, 2009
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5O3V
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![BU of 5o3v by Molmil](/molmil-images/mine/5o3v) | Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin B1 | 分子名称: | MAGNESIUM ION, Peptide cyclase 1, Putative presegetalin B1, ... | 著者 | Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H. | 登録日 | 2017-05-25 | 公開日 | 2018-02-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates. ACS Chem. Biol., 13, 2018
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2V9Y
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![BU of 2v9y by Molmil](/molmil-images/mine/2v9y) | Human aminoimidazole ribonucleotide synthetase | 分子名称: | PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE, SULFATE ION | 著者 | Welin, M, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Herman, M.D, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | 登録日 | 2007-08-28 | 公開日 | 2007-09-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Studies of Tri-Functional Human Gart. Nucleic Acids Res., 38, 2010
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3K3E
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![BU of 3k3e by Molmil](/molmil-images/mine/3k3e) | Crystal structure of the PDE9A catalytic domain in complex with (R)-BAY73-6691 | 分子名称: | 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | 著者 | Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. | 登録日 | 2009-10-02 | 公開日 | 2010-02-16 | 最終更新日 | 2013-11-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis J.Med.Chem., 53, 2010
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2W6W
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![BU of 2w6w by Molmil](/molmil-images/mine/2w6w) | Crystal structure of recombinant Sperm Whale Myoglobin under 1atm of Xenon | 分子名称: | GLYCEROL, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Miele, A.E, Draghi, F, Renzi, F, Sciara, G, Johnson, K.A, Vallone, B, Brunori, M, Savino, C. | 登録日 | 2008-12-19 | 公開日 | 2009-04-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Pattern of Cavities in Globins: The Case of Human Hemoglobin. Biopolymers, 91, 2009
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5O3U
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![BU of 5o3u by Molmil](/molmil-images/mine/5o3u) | Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin F1 | 分子名称: | Peptide cyclase 1, Putative presegetalin F1 | 著者 | Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H. | 登録日 | 2017-05-25 | 公開日 | 2018-02-07 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates. ACS Chem. Biol., 13, 2018
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5URF
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![BU of 5urf by Molmil](/molmil-images/mine/5urf) | The structure of human bocavirus 1 | 分子名称: | viral protein 3 | 著者 | Mietzsch, M, Kailasan, S, Garrison, J, Ilyas, M, Chipman, P, Kandola, K, Jansen, M, Spear, J, Sousa, D, McKenna, R, Soderlund-Venermo, M, Baker, T, Agbandje-McKenna, M. | 登録日 | 2017-02-10 | 公開日 | 2017-03-29 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural Insights into Human Bocaparvoviruses. J. Virol., 91, 2017
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5UR1
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![BU of 5ur1 by Molmil](/molmil-images/mine/5ur1) | FGFR1 kinase domain complex with SN37333 in reversible binding mode | 分子名称: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1 | 著者 | Yosaatmadja, Y, Paik, W.-K, Smaill, J.B, Squire, C.J. | 登録日 | 2017-02-09 | 公開日 | 2017-05-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 2-Oxo-3, 4-dihydropyrimido[4, 5-d]pyrimidinyl derivatives as new irreversible pan fibroblast growth factor receptor (FGFR) inhibitors. Eur J Med Chem, 135, 2017
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