7YYX
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![BU of 7yyx by Molmil](/molmil-images/mine/7yyx) | Molecular snapshots of drug release from tubulin: 100 nanoseconds after photoactivation. | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YZ0
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![BU of 7yz0 by Molmil](/molmil-images/mine/7yz0) | Molecular snapshots of drug release from tubulin: 100 microseconds after photoactivation. | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YZ3
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![BU of 7yz3 by Molmil](/molmil-images/mine/7yz3) | Molecular snapshots of drug release from tubulin: Apo state | 分子名称: | CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YYQ
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![BU of 7yyq by Molmil](/molmil-images/mine/7yyq) | Molecular snapshots of drug release from tubulin: Dark state | 分子名称: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YYY
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![BU of 7yyy by Molmil](/molmil-images/mine/7yyy) | Molecular snapshots of drug release from tubulin: 1 microsecond after photoactivation | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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1Y57
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![BU of 1y57 by Molmil](/molmil-images/mine/1y57) | Structure of unphosphorylated c-Src in complex with an inhibitor | 分子名称: | 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PHENYL}BENZAMIDE, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION | 著者 | Cowan-Jacob, S.W, Fendrich, G, Manley, P.W, Jahnke, W, Fabbro, D, Liebetanz, J, Meyer, T. | 登録日 | 2004-12-02 | 公開日 | 2005-06-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | The Crystal Structure of a c-Src Complex in an Active Conformation Suggests Possible Steps in c-Src Activation Structure, 13, 2005
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7XHS
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![BU of 7xhs by Molmil](/molmil-images/mine/7xhs) | Crystal structure of CipA crystal produced by cell-free protein synthesis | 分子名称: | Cro/Cl family transcriptional regulator | 著者 | Abe, S, Tanaka, J, Kojima, M, Kanamaru, S, Yamashita, K, Hirata, K, Ueno, T. | 登録日 | 2022-04-10 | 公開日 | 2023-02-01 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Cell-free protein crystallization for nanocrystal structure determination. Sci Rep, 12, 2022
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7XHR
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![BU of 7xhr by Molmil](/molmil-images/mine/7xhr) | Crystal structure of Wild Type Cypovirus Polyhedra produced by cell-free protein synthesis | 分子名称: | ACETYL GROUP, CHLORIDE ION, Polyhedrin | 著者 | Abe, S, Tanaka, J, Kojima, M, Hirata, K, Yamashita, K, Ueno, T. | 登録日 | 2022-04-10 | 公開日 | 2023-02-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Cell-free protein crystallization for nanocrystal structure determination. Sci Rep, 12, 2022
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1YWN
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![BU of 1ywn by Molmil](/molmil-images/mine/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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4BG1
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![BU of 4bg1 by Molmil](/molmil-images/mine/4bg1) | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 1-(3-Carboxypropyl)-1-methylpyrrolidin-1-ium chloride | 分子名称: | 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | 著者 | Tars, K, Leitans, J, Kazaks, A. | 登録日 | 2013-03-22 | 公開日 | 2014-03-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
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4BGM
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![BU of 4bgm by Molmil](/molmil-images/mine/4bgm) | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1- aminium chloride | 分子名称: | 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | 著者 | Tars, K, Leitans, J, Kazaks, A. | 登録日 | 2013-03-27 | 公開日 | 2014-03-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
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3P8C
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![BU of 3p8c by Molmil](/molmil-images/mine/3p8c) | Structure and Control of the Actin Regulatory WAVE Complex | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Abl interactor 2, CHLORIDE ION, ... | 著者 | Chen, Z, Borek, D, Padrick, S.B, Gomez, T.S, Metlagel, Z, Ismail, A.M, Umetani, J, Billadeau, D.D, Otwinowski, Z, Rosen, M.K. | 登録日 | 2010-10-13 | 公開日 | 2010-12-01 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Structure and control of the actin regulatory WAVE complex. Nature, 468, 2010
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4BGK
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![BU of 4bgk by Molmil](/molmil-images/mine/4bgk) | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with (3-(Trimethylammonio)propyl)phosphinate | 分子名称: | GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ... | 著者 | Tars, K, Leitans, J, Kazaks, A. | 登録日 | 2013-03-27 | 公開日 | 2014-03-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
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4C5W
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![BU of 4c5w by Molmil](/molmil-images/mine/4c5w) | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Ethyldimethylammonio)butanoate | 分子名称: | GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ... | 著者 | Tars, K, Leitans, J, Kazaks, A. | 登録日 | 2013-09-16 | 公開日 | 2014-03-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
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4Z22
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![BU of 4z22 by Molmil](/molmil-images/mine/4z22) | structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor DR718A | 分子名称: | 2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one, Plasmepsin-2 | 著者 | Recacha, R, Leitans, J, Tars, K, Jaudzems, K. | 登録日 | 2015-03-28 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Fragment-Based Discovery of 2-Aminoquinazolin-4(3H)-ones As Novel Class Nonpeptidomimetic Inhibitors of the Plasmepsins I, II, and IV. J.Med.Chem., 59, 2016
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3QPI
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![BU of 3qpi by Molmil](/molmil-images/mine/3qpi) | Crystal Structure of Dimeric Chlorite Dismutases from Nitrobacter winogradskyi | 分子名称: | Chlorite Dismutase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Mlynek, G, Sjoeblom, B, Kostan, J, Fuereder, S, Maixner, F, Furtmueller, P.G, Obinger, O, Wagner, M, Daims, H, Djinovic-Carugo, K. | 登録日 | 2011-02-13 | 公開日 | 2011-07-06 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Unexpected diversity of chlorite dismutases: a catalytically efficient dimeric enzyme from Nitrobacter winogradskyi. J.Bacteriol., 193, 2011
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4BHI
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![BU of 4bhi by Molmil](/molmil-images/mine/4bhi) | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1,1,1,2-Tetramethylhydrazin-1-ium-2-yl)propanoate | 分子名称: | 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | 著者 | Tars, K, Leitans, J, Kazaks, A. | 登録日 | 2013-04-03 | 公開日 | 2014-03-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
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1DDJ
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![BU of 1ddj by Molmil](/molmil-images/mine/1ddj) | CRYSTAL STRUCTURE OF HUMAN PLASMINOGEN CATALYTIC DOMAIN | 分子名称: | PLASMINOGEN | 著者 | Wang, X, Terzyan, S, Tang, J, Loy, J, Lin, X, Zhang, X. | 登録日 | 1999-11-10 | 公開日 | 2000-02-18 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Human plasminogen catalytic domain undergoes an unusual conformational change upon activation. J.Mol.Biol., 295, 2000
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4BHF
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![BU of 4bhf by Molmil](/molmil-images/mine/4bhf) | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Trimethylammonio)pentanoate | 分子名称: | 4-(Trimethylammonio)pentanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | 著者 | Tars, K, Leitans, J, Kazaks, A. | 登録日 | 2013-04-02 | 公開日 | 2014-03-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
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2WTR
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![BU of 2wtr by Molmil](/molmil-images/mine/2wtr) | |
2VKM
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![BU of 2vkm by Molmil](/molmil-images/mine/2vkm) | Crystal structure of GRL-8234 bound to BACE (Beta-secretase) | 分子名称: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | 著者 | Hong, L, Tang, J, Ghosh, A.K. | 登録日 | 2007-12-04 | 公開日 | 2008-12-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation. Bioorg.Med.Chem.Lett., 18, 2008
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2P4J
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![BU of 2p4j by Molmil](/molmil-images/mine/2p4j) | Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives at P2-P3 | 分子名称: | Beta-secretase 1, N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | 著者 | Hong, L, Ghosh, A.K, Tang, J. | 登録日 | 2007-03-12 | 公開日 | 2007-07-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands. J.Med.Chem., 50, 2007
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4DPH
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![BU of 4dph by Molmil](/molmil-images/mine/4dph) | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P65 and NADPH | 分子名称: | 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine, BETA-MERCAPTOETHANOL, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | 登録日 | 2012-02-13 | 公開日 | 2012-11-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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1VKG
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![BU of 1vkg by Molmil](/molmil-images/mine/1vkg) | Crystal Structure of Human HDAC8 complexed with CRA-19156 | 分子名称: | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, Histone deacetylase 8, SODIUM ION, ... | 著者 | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | 登録日 | 2004-05-13 | 公開日 | 2004-07-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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3CS9
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![BU of 3cs9 by Molmil](/molmil-images/mine/3cs9) | Human ABL kinase in complex with nilotinib | 分子名称: | Nilotinib, Proto-oncogene tyrosine-protein kinase ABL1 | 著者 | Cowan-Jacob, S.W, Fendrich, G, Manley, P, Liebetanz, J, Fabbro, D. | 登録日 | 2008-04-09 | 公開日 | 2008-04-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl Cancer Cell, 7, 2005
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