4O0H
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4O0F
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4PCI
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![BU of 4pci by Molmil](/molmil-images/mine/4pci) | Crystal Structure of the first bromodomain of BRD4 in complex with B16 | 分子名称: | (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2014-04-15 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorg.Med.Chem.Lett., 24, 2014
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5ADI
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![BU of 5adi by Molmil](/molmil-images/mine/5adi) | Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((5-((Methylamino)methyl)pyridin-3-yl)oxy)methyl)quinolin-2- amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine, NITRIC OXIDE SYNTHASE, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-08-20 | 公開日 | 2015-10-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5EN4
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![BU of 5en4 by Molmil](/molmil-images/mine/5en4) | Complex of 17-beta-hydroxysteroid dehydrogenase type 14 with inhibitor. | 分子名称: | 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | 著者 | Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | 登録日 | 2015-11-09 | 公開日 | 2016-11-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme. J. Med. Chem., 59, 2016
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2K7J
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![BU of 2k7j by Molmil](/molmil-images/mine/2k7j) | Human Acylphosphatase(AcPh) surface charge-optimized | 分子名称: | Acylphosphatase-1 | 著者 | Gribenko, A.V, Patel, M.M, Liu, J, McCallum, S.A, Wang, C, Makhatadze, G.I. | 登録日 | 2008-08-12 | 公開日 | 2009-02-17 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Rational stabilization of enzymes by computational redesign of surface charge-charge interactions Proc.Natl.Acad.Sci.USA, 106, 2009
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5ADG
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![BU of 5adg by Molmil](/molmil-images/mine/5adg) | Structure of human nNOS R354A G357D mutant heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl)quinolin-2- amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, GLYCEROL, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-08-20 | 公開日 | 2015-10-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.982 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5VBQ
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![BU of 5vbq by Molmil](/molmil-images/mine/5vbq) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH BI2536 | 分子名称: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain testis-specific protein, ... | 著者 | EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E. | 登録日 | 2017-03-30 | 公開日 | 2018-04-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 2021
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2JX3
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5ADF
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![BU of 5adf by Molmil](/molmil-images/mine/5adf) | Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl)quinolin-2- amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine, NITRIC OXIDE SYNTHASE, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-08-20 | 公開日 | 2015-10-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.966 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5A86
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2V2W
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![BU of 2v2w by Molmil](/molmil-images/mine/2v2w) | T CELL CROSS-REACTIVITY AND CONFORMATIONAL CHANGES DURING TCR ENGAGEMENT | 分子名称: | BETA-2 MICROGLOBULIN, HIV P17, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | 著者 | Lee, J.K, Stewart-Jones, G, Dong, T, Harlos, K, Di Gleria, K, Dorrell, L, Douek, D.C, Van Der Merwe, P.A, Jones, E.Y, Mcmichael, A.J. | 登録日 | 2007-06-07 | 公開日 | 2007-11-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | T Cell Cross-Reactivity and Conformational Changes During Tcr Engagement. J.Exp.Med., 200, 2004
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2V2X
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![BU of 2v2x by Molmil](/molmil-images/mine/2v2x) | T cell cross-reactivity and conformational changes during TCR engagement. | 分子名称: | BETA-2 MICROGLOBULIN, HIV P17, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | 著者 | Lee, J.K, Stewart-Jones, G, Dong, T, harlos, K, Di Gleria, K, Dorrell, L, Douek, D.C, van der Merwe, P.A, Jones, E.Y, McMichael, A.J. | 登録日 | 2007-06-07 | 公開日 | 2007-11-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | T Cell Cross-Reactivity and Conformational Changes During Tcr Engagement. J.Exp.Med., 200, 2004
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2RBE
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![BU of 2rbe by Molmil](/molmil-images/mine/2rbe) | The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors | 分子名称: | (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhang, J, Jordan, S.R, Li, V. | 登録日 | 2007-09-18 | 公開日 | 2008-01-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2UWE
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![BU of 2uwe by Molmil](/molmil-images/mine/2uwe) | Large CDR3a loop alteration as a function of MHC mutation | 分子名称: | AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, BETA-2-MICROGLOBULIN, ... | 著者 | Miller, P.J, Pazy, Y, Conti, B, Riddle, D, Biddison, W.E, Appella, E, Collins, E.J. | 登録日 | 2007-03-20 | 公開日 | 2007-09-25 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Single Mhc Mutation Eliminates Enthalpy Associated with T Cell Receptor Binding. J.Mol.Biol., 373, 2007
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2K7K
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![BU of 2k7k by Molmil](/molmil-images/mine/2k7k) | Human Acylphosphatase (AcPh) common type | 分子名称: | Acylphosphatase-1 | 著者 | Gribenko, A.V, Patel, M.M, Liu, J, McCallum, S.A, Wang, C, Makhatadze, G.I. | 登録日 | 2008-08-13 | 公開日 | 2009-02-17 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Rational stabilization of enzymes by computational redesign of surface charge-charge interactions Proc.Natl.Acad.Sci.USA, 106, 2009
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2V8C
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![BU of 2v8c by Molmil](/molmil-images/mine/2v8c) | Mouse Profilin IIa in complex with the proline-rich domain of VASP | 分子名称: | GLYCEROL, ISOPROPYL ALCOHOL, PROFILIN-2, ... | 著者 | Kursula, P, Downer, J, Witke, W, Wilmanns, M. | 登録日 | 2007-08-06 | 公開日 | 2007-12-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | High-Resolution Structural Analysis of Mammalian Profilin 2A Complex Formation with Two Physiological Ligands: The Formin Homology 1 Domain of Mdia1 and the Proline-Rich Domain of Vasp. J.Mol.Biol., 375, 2008
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2O36
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2DW4
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2MB0
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2EJR
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![BU of 2ejr by Molmil](/molmil-images/mine/2ejr) | LSD1-tranylcypromine complex | 分子名称: | Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE | 著者 | Sengoku, T, Mimasu, S, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2007-03-20 | 公開日 | 2008-01-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of histone demethylase LSD1 and tranylcypromine at 2.25A Biochem.Biophys.Res.Commun., 366, 2008
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6YQF
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5OR8
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![BU of 5or8 by Molmil](/molmil-images/mine/5or8) | Crystal Structure of BAZ2A bromodomain in complex with 1,3-dimethyl-benzimidazolone compound 1 | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide | 著者 | Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A. | 登録日 | 2017-08-15 | 公開日 | 2017-09-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. J Chem Inf Model, 57, 2017
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3SG3
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![BU of 3sg3 by Molmil](/molmil-images/mine/3sg3) | Crystal Structure of GCaMP3-D380Y | 分子名称: | CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ... | 著者 | Schreiter, E.R, Akerboom, J, Looger, L.L. | 登録日 | 2011-06-14 | 公開日 | 2012-06-20 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Optimization of a GCaMP calcium indicator for neural activity imaging. J.Neurosci., 32, 2012
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3SG2
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![BU of 3sg2 by Molmil](/molmil-images/mine/3sg2) | Crystal Structure of GCaMP2-T116V,D381Y | 分子名称: | CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ... | 著者 | Schreiter, E.R, Akerboom, J, Looger, L.L. | 登録日 | 2011-06-14 | 公開日 | 2012-06-20 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Optimization of a GCaMP calcium indicator for neural activity imaging. J.Neurosci., 32, 2012
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