6OJP
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![BU of 6ojp by Molmil](/molmil-images/mine/6ojp) | Structure of glycolipid alpha-GSA[8,6P] in complex with mouse CD1d | 分子名称: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Zajonc, D.M, Bitra, A. | 登録日 | 2019-04-11 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6Q73
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![BU of 6q73 by Molmil](/molmil-images/mine/6q73) | PI3K delta in complex with N[2chloro5(3,6dihydro2Hpyran4yl)pyridin3yl]methanesulfonamide | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide | 著者 | Convery, M.A, Rowland, P, Down, K, Barton, N. | 登録日 | 2018-12-12 | 公開日 | 2018-12-26 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach. J.Med.Chem., 61, 2018
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6OKD
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![BU of 6okd by Molmil](/molmil-images/mine/6okd) | Crystal Structure of human transferrin receptor in complex with a cystine-dense peptide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | 著者 | Finton, K.A.K, Rupert, P.B, Strong, R.K. | 登録日 | 2019-04-12 | 公開日 | 2020-04-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules. J.Mol.Biol., 432, 2020
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5HIC
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![BU of 5hic by Molmil](/molmil-images/mine/5hic) | EGFR kinase domain mutant "TMLR" with a imidazopyridinyl-aminopyrimidine inhibitor | 分子名称: | Epidermal growth factor receptor, N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2016-01-11 | 公開日 | 2016-04-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
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4UZD
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![BU of 4uzd by Molmil](/molmil-images/mine/4uzd) | SAR156497 an exquisitely selective inhibitor of Aurora kinases | 分子名称: | AURORA KINASE A, ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | 著者 | Pouzieux, S, Delarbre, L, Crenne, J.Y. | 登録日 | 2014-09-05 | 公開日 | 2014-11-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases. J.Med.Chem., 58, 2015
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4UZH
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![BU of 4uzh by Molmil](/molmil-images/mine/4uzh) | SAR156497 an exquisitely selective inhibitor of Aurora kinases | 分子名称: | (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN | 著者 | Pouzieux, S, Maignan, S, Crenne, J.Y. | 登録日 | 2014-09-05 | 公開日 | 2014-11-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases. J.Med.Chem., 58, 2015
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4Y2A
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![BU of 4y2a by Molmil](/molmil-images/mine/4y2a) | Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor | 分子名称: | 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ... | 著者 | Vives-Adrian, L, Ferrer-Orta, C, Verdaguer, N. | 登録日 | 2015-02-09 | 公開日 | 2015-04-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family. Plos Pathog., 11, 2015
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4Y34
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![BU of 4y34 by Molmil](/molmil-images/mine/4y34) | Crystal Structure of Coxsackievirus B3 3D polymerase in complex with GPC-N143 | 分子名称: | 2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ... | 著者 | Vives-Adrian, L, Ferrer-Orta, C, Cerdaguer, N. | 登録日 | 2015-02-10 | 公開日 | 2015-04-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family. Plos Pathog., 11, 2015
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4Y3C
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4Y2C
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5HIB
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5LNL
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![BU of 5lnl by Molmil](/molmil-images/mine/5lnl) | Crystal structure of Hsf 1608-1749 putative domain 1 | 分子名称: | Hsf | 著者 | Thomsen, M, Wright, J, Ridley, J, Goldman, A. | 登録日 | 2016-08-05 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | The crystal structure of PD1, a Haemophilus surface fibril domain. Acta Crystallogr F Struct Biol Commun, 73, 2017
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6BAH
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![BU of 6bah by Molmil](/molmil-images/mine/6bah) | Trastuzumab Fab v3 with 5-diphenyl meditope variant | 分子名称: | Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain,IGH@ protein, ... | 著者 | Bzymek, K.P, King, J.D, Williams, J.C. | 登録日 | 2017-10-12 | 公開日 | 2018-09-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag. Bioconjug. Chem., 29, 2018
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5MW6
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6BAE
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![BU of 6bae by Molmil](/molmil-images/mine/6bae) | Trastuzumab Fab v3 in complex with CQFDLSTRRLKC | 分子名称: | Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ... | 著者 | Bzymek, K.P, King, J.D, Williams, J.C. | 登録日 | 2017-10-12 | 公開日 | 2018-09-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag. Bioconjug. Chem., 29, 2018
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6B9Y
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![BU of 6b9y by Molmil](/molmil-images/mine/6b9y) | Trastuzumab Fab v3 in complex with 5-phenyl meditope variant | 分子名称: | Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ... | 著者 | Bzymek, K.P, King, J.D, Williams, J.C. | 登録日 | 2017-10-11 | 公開日 | 2018-09-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag. Bioconjug. Chem., 29, 2018
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6B9Z
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![BU of 6b9z by Molmil](/molmil-images/mine/6b9z) | Trastuzumab Fab v3 | 分子名称: | Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ... | 著者 | Bzymek, K.P, King, J.D, Williams, J.C. | 登録日 | 2017-10-11 | 公開日 | 2018-09-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag. Bioconjug. Chem., 29, 2018
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6WUP
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6WI6
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![BU of 6wi6 by Molmil](/molmil-images/mine/6wi6) | Crystal structure of plantacyclin B21AG | 分子名称: | MALONATE ION, Plantacyclin B21AG | 著者 | Smith, A.T, Gor, M.C, Vezina, B, McMahon, R, King, G, Panjikar, S, Rehm, B, Martin, J. | 登録日 | 2020-04-08 | 公開日 | 2021-01-06 | 最終更新日 | 2021-02-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure and site-directed mutagenesis of circular bacteriocin plantacyclin B21AG reveals cationic and aromatic residues important for antimicrobial activity. Sci Rep, 10, 2020
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6Y3C
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![BU of 6y3c by Molmil](/molmil-images/mine/6y3c) | Human COX-1 Crystal Structure | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Prostaglandin G/H synthase 1, ... | 著者 | Miciaccia, M, Belviso, B.D, Iaselli, M, Ferorelli, S, Perrone, M.G, Caliandro, R, Scilimati, A. | 登録日 | 2020-02-18 | 公開日 | 2020-02-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.361 Å) | 主引用文献 | Three-dimensional structure of human cyclooxygenase (hCOX)-1. Sci Rep, 11, 2021
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7B3E
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![BU of 7b3e by Molmil](/molmil-images/mine/7b3e) | Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | 分子名称: | 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | 登録日 | 2020-11-30 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen. Acs Pharmacol Transl Sci, 4, 2021
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6YL4
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![BU of 6yl4 by Molmil](/molmil-images/mine/6yl4) | Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl)benzamide | 分子名称: | 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide, Bifunctional epoxide hydrolase 2 | 著者 | Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E. | 登録日 | 2020-04-06 | 公開日 | 2020-10-21 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase. J.Med.Chem., 63, 2020
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8D0Z
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![BU of 8d0z by Molmil](/molmil-images/mine/8d0z) | S728-1157 IgG in complex with SARS-CoV-2-6P-Mut7 Spike protein (focused refinement) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S728-1157 Fab heavy chain variable region, S728-1157 Fab light chain variable region, ... | 著者 | Ozorowski, G, Torres, J.L, Ward, A.B. | 登録日 | 2022-05-26 | 公開日 | 2023-03-22 | 最終更新日 | 2023-05-03 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Site of vulnerability on SARS-CoV-2 spike induces broadly protective antibody against antigenically distinct Omicron subvariants. J.Clin.Invest., 133, 2023
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5XEP
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![BU of 5xep by Molmil](/molmil-images/mine/5xep) | Crystal structure of BRP39, a chitinase-like protein, at 2.6 Angstorm resolution | 分子名称: | 1,2-ETHANEDIOL, Chitinase-3-like protein 1 | 著者 | Mohanty, A.K, Fisher, A.J, Choudhary, S, Kaushik, J.K. | 登録日 | 2017-04-05 | 公開日 | 2018-04-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structure of BRP39, a signalling glycoprotein expressed during mammary gland apoptosis. To be published
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6EHP
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![BU of 6ehp by Molmil](/molmil-images/mine/6ehp) | |