6OC2
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![BU of 6oc2 by Molmil](/molmil-images/mine/6oc2) | CSP1-cyc(Orn6D10) | 分子名称: | Competence-stimulating peptide type 1 | 著者 | Yang, Y. | 登録日 | 2019-03-21 | 公開日 | 2020-01-08 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae. Proc.Natl.Acad.Sci.USA, 117, 2020
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7BBW
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7CWI
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6OLD
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![BU of 6old by Molmil](/molmil-images/mine/6old) | CSP1-cyc(Dap6E10) | 分子名称: | Competence-stimulating peptide type 1 | 著者 | Yang, Y. | 登録日 | 2019-04-16 | 公開日 | 2020-01-08 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae. Proc.Natl.Acad.Sci.USA, 117, 2020
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6ZWH
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![BU of 6zwh by Molmil](/molmil-images/mine/6zwh) | Neisseria gonorrhoeae transaldolase at 1.5 Angstrom resolution | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | 著者 | Rabe von Pappenheim, F, Wensien, M, Funk, L.-M, Sautner, V, Tittmann, K. | 登録日 | 2020-07-28 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function. Nature, 593, 2021
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6ZX4
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![BU of 6zx4 by Molmil](/molmil-images/mine/6zx4) | Neisseria gonorrhoeae transaldolase | 分子名称: | CITRIC ACID, GLYCEROL, Transaldolase | 著者 | Sautner, V, Rabe von Pappenheim, F, Wensien, M, Tittmann, K. | 登録日 | 2020-07-29 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | 主引用文献 | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function. Nature, 593, 2021
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3LD8
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![BU of 3ld8 by Molmil](/molmil-images/mine/3ld8) | Structure of JMJD6 and Fab Fragments | 分子名称: | Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, GLYCEROL, ... | 著者 | Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G. | 登録日 | 2010-01-12 | 公開日 | 2010-08-04 | 最終更新日 | 2012-06-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Interaction of JMJD6 with single-stranded RNA. Proc.Natl.Acad.Sci.USA, 107, 2010
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7CFQ
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![BU of 7cfq by Molmil](/molmil-images/mine/7cfq) | Crystal structure of WDR5 in complex with H3K4me3Q5ser peptide | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, H3K4me3Q5ser peptide, ... | 著者 | Zhao, J, Zhang, X, Zang, J. | 登録日 | 2020-06-27 | 公開日 | 2021-07-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural insights into the recognition of histone H3Q5 serotonylation by WDR5. Sci Adv, 7, 2021
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3HPK
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3LDB
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![BU of 3ldb by Molmil](/molmil-images/mine/3ldb) | Structure of JMJD6 complexd with ALPHA-KETOGLUTARATE and Fab Fragment. | 分子名称: | 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, ... | 著者 | Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G. | 登録日 | 2010-01-12 | 公開日 | 2010-08-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Interaction of JMJD6 with single-stranded RNA. Proc.Natl.Acad.Sci.USA, 107, 2010
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8EO2
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![BU of 8eo2 by Molmil](/molmil-images/mine/8eo2) | Lufaxin a bifunctional inhibitor of complement and coagulation | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | 著者 | Andersen, J.F, Strayer, E.C. | 登録日 | 2022-10-01 | 公開日 | 2023-08-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | A bispecific inhibitor of complement and coagulation blocks activation in complementopathy models via a novel mechanism. Blood, 141, 2023
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7MLC
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![BU of 7mlc by Molmil](/molmil-images/mine/7mlc) | PYL10 bound to the ABA pan-antagonist 4a | 分子名称: | 1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid, Abscisic acid receptor PYL10, GLYCEROL | 著者 | Peterson, F.C, Vaidya, A.S, Volkman, B.F, Cutler, S.R. | 登録日 | 2021-04-28 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Click-to-lead design of a picomolar ABA receptor antagonist with potent activity in vivo. Proc.Natl.Acad.Sci.USA, 118, 2021
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1KVZ
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![BU of 1kvz by Molmil](/molmil-images/mine/1kvz) | Solution Structure of Cytotoxic RC-RNase4 | 分子名称: | RC-RNase4 | 著者 | Hsu, C.-H, Liao, Y.-D, Chen, L.-W, Wu, S.-H, Chen, C. | 登録日 | 2002-01-28 | 公開日 | 2002-07-28 | 最終更新日 | 2022-12-21 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure of the Cytotoxic RNase 4 from the Oocytes of Bullfrog Rana Catesbeiana J.MOL.BIOL., 326, 2003
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6GQP
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![BU of 6gqp by Molmil](/molmil-images/mine/6gqp) | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23) | 分子名称: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide | 著者 | Hardy, C.J, Schimpl, M, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | 登録日 | 2018-06-07 | 公開日 | 2018-09-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6XF4
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![BU of 6xf4 by Molmil](/molmil-images/mine/6xf4) | Crystal structure of STING REF variant in complex with E7766 | 分子名称: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), 1,2-ETHANEDIOL, Stimulator of interferon genes protein | 著者 | Chen, Y, Wang, J.Y, Kim, D.-S. | 登録日 | 2020-06-15 | 公開日 | 2021-02-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity. Chemmedchem, 16, 2021
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6XF3
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![BU of 6xf3 by Molmil](/molmil-images/mine/6xf3) | Crystal structure of STING in complex with E7766 | 分子名称: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), Stimulator of interferon genes protein | 著者 | Chen, Y, Wang, J.Y, Kim, D.-S. | 登録日 | 2020-06-15 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity. Chemmedchem, 16, 2021
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6NZT
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8VSG
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![BU of 8vsg by Molmil](/molmil-images/mine/8vsg) | SARS-CoV-2 main protease with covalent inhibitor | 分子名称: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-(1-phenylcyclopropane-1-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Bell, J.A, Bandera, A.M. | 登録日 | 2024-01-24 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.071 Å) | 主引用文献 | Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity. Bioorg.Med.Chem., 103, 2024
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4PDD
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![BU of 4pdd by Molmil](/molmil-images/mine/4pdd) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM POLAROMONAS SP JS666 (Bpro_0088, TARGET EFI-510167) BOUND TO D-ERYTHRONATE | 分子名称: | (2R,3R)-2,3,4-trihydroxybutanoic acid, FORMIC ACID, MALONIC ACID, ... | 著者 | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2014-04-18 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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5KNN
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2J23
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![BU of 2j23 by Molmil](/molmil-images/mine/2j23) | Cross-reactivity and crystal structure of Malassezia sympodialis Thioredoxin (Mala s 13), a member of a new pan-allergen family | 分子名称: | THIOREDOXIN | 著者 | Limacher, A, Glaser, A.G, Meier, C, Scapozza, L, Crameri, R. | 登録日 | 2006-08-16 | 公開日 | 2006-11-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Cross-reactivity and 1.4-A crystal structure of Malassezia sympodialis thioredoxin (Mala s 13), a member of a new pan-allergen family. J Immunol., 178, 2007
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5DLI
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![BU of 5dli by Molmil](/molmil-images/mine/5dli) | Corkscrew assembly of SOD1 residues 28-38 | 分子名称: | GLYCEROL, IODIDE ION, Superoxide dismutase [Cu-Zn] | 著者 | Sangwan, S, Zhao, A, Sawaya, M.R, Eisenberg, D. | 登録日 | 2015-09-05 | 公開日 | 2016-09-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS). Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5JKG
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6OC4
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![BU of 6oc4 by Molmil](/molmil-images/mine/6oc4) | CSP1-cyc(Dab6E10) | 分子名称: | Competence-stimulating peptide type 1 | 著者 | Yang, Y. | 登録日 | 2019-03-21 | 公開日 | 2020-01-08 | 最終更新日 | 2020-02-05 | 実験手法 | SOLUTION NMR | 主引用文献 | Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae. Proc.Natl.Acad.Sci.USA, 117, 2020
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1Z5F
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![BU of 1z5f by Molmil](/molmil-images/mine/1z5f) | Solution Structure of the Cytotoxic RC-RNase 3 with a Pyroglutamate Residue at the N-terminus | 分子名称: | RC-RNase 3 | 著者 | Lou, Y.C, Huang, Y.C, Pan, Y.R, Chen, C, Liao, Y.D. | 登録日 | 2005-03-18 | 公開日 | 2006-02-28 | 最終更新日 | 2019-12-25 | 実験手法 | SOLUTION NMR | 主引用文献 | Roles of N-terminal pyroglutamate in maintaining structural integrity and pKa values of catalytic histidine residues in bullfrog ribonuclease 3 J.Mol.Biol., 355, 2006
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