6OC2
| CSP1-cyc(Orn6D10) | Descriptor: | Competence-stimulating peptide type 1 | Authors: | Yang, Y. | Deposit date: | 2019-03-21 | Release date: | 2020-01-08 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | 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
| Crystal structure of beta-galactosidase II from Bacillus circulans | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Hong, H, Seo, H. | Deposit date: | 2020-08-28 | Release date: | 2020-12-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | High Galacto-Oligosaccharide Production and a Structural Model for Transgalactosylation of beta-Galactosidase II from Bacillus circulans . J.Agric.Food Chem., 68, 2020
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6OLD
| CSP1-cyc(Dap6E10) | Descriptor: | Competence-stimulating peptide type 1 | Authors: | Yang, Y. | Deposit date: | 2019-04-16 | Release date: | 2020-01-08 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | 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
| Neisseria gonorrhoeae transaldolase at 1.5 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | Authors: | Rabe von Pappenheim, F, Wensien, M, Funk, L.-M, Sautner, V, Tittmann, K. | Deposit date: | 2020-07-28 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function. Nature, 593, 2021
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6ZX4
| Neisseria gonorrhoeae transaldolase | Descriptor: | CITRIC ACID, GLYCEROL, Transaldolase | Authors: | Sautner, V, Rabe von Pappenheim, F, Wensien, M, Tittmann, K. | Deposit date: | 2020-07-29 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function. Nature, 593, 2021
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3LD8
| Structure of JMJD6 and Fab Fragments | Descriptor: | Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, GLYCEROL, ... | Authors: | Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G. | Deposit date: | 2010-01-12 | Release date: | 2010-08-04 | Last modified: | 2012-06-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Interaction of JMJD6 with single-stranded RNA. Proc.Natl.Acad.Sci.USA, 107, 2010
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7CFQ
| Crystal structure of WDR5 in complex with H3K4me3Q5ser peptide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, H3K4me3Q5ser peptide, ... | Authors: | Zhao, J, Zhang, X, Zang, J. | Deposit date: | 2020-06-27 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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
| Structure of JMJD6 complexd with ALPHA-KETOGLUTARATE and Fab Fragment. | Descriptor: | 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, ... | Authors: | Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G. | Deposit date: | 2010-01-12 | Release date: | 2010-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Interaction of JMJD6 with single-stranded RNA. Proc.Natl.Acad.Sci.USA, 107, 2010
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8EO2
| Lufaxin a bifunctional inhibitor of complement and coagulation | Descriptor: | 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, ... | Authors: | Andersen, J.F, Strayer, E.C. | Deposit date: | 2022-10-01 | Release date: | 2023-08-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | A bispecific inhibitor of complement and coagulation blocks activation in complementopathy models via a novel mechanism. Blood, 141, 2023
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7MLC
| PYL10 bound to the ABA pan-antagonist 4a | Descriptor: | 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 | Authors: | Peterson, F.C, Vaidya, A.S, Volkman, B.F, Cutler, S.R. | Deposit date: | 2021-04-28 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | 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
| Solution Structure of Cytotoxic RC-RNase4 | Descriptor: | RC-RNase4 | Authors: | Hsu, C.-H, Liao, Y.-D, Chen, L.-W, Wu, S.-H, Chen, C. | Deposit date: | 2002-01-28 | Release date: | 2002-07-28 | Last modified: | 2022-12-21 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Cytotoxic RNase 4 from the Oocytes of Bullfrog Rana Catesbeiana J.MOL.BIOL., 326, 2003
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6GQP
| Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23) | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide | Authors: | 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. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | 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
| Crystal structure of STING REF variant in complex with E7766 | Descriptor: | (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 | Authors: | Chen, Y, Wang, J.Y, Kim, D.-S. | Deposit date: | 2020-06-15 | Release date: | 2021-02-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity. Chemmedchem, 16, 2021
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6XF3
| Crystal structure of STING in complex with E7766 | Descriptor: | (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 | Authors: | Chen, Y, Wang, J.Y, Kim, D.-S. | Deposit date: | 2020-06-15 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | 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
| SARS-CoV-2 main protease with covalent inhibitor | Descriptor: | (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, ... | Authors: | Bell, J.A, Bandera, A.M. | Deposit date: | 2024-01-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.071 Å) | Cite: | 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
| CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM POLAROMONAS SP JS666 (Bpro_0088, TARGET EFI-510167) BOUND TO D-ERYTHRONATE | Descriptor: | (2R,3R)-2,3,4-trihydroxybutanoic acid, FORMIC ACID, MALONIC ACID, ... | Authors: | 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) | Deposit date: | 2014-04-18 | Release date: | 2014-05-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
| Cross-reactivity and crystal structure of Malassezia sympodialis Thioredoxin (Mala s 13), a member of a new pan-allergen family | Descriptor: | THIOREDOXIN | Authors: | Limacher, A, Glaser, A.G, Meier, C, Scapozza, L, Crameri, R. | Deposit date: | 2006-08-16 | Release date: | 2006-11-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | 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
| Corkscrew assembly of SOD1 residues 28-38 | Descriptor: | GLYCEROL, IODIDE ION, Superoxide dismutase [Cu-Zn] | Authors: | Sangwan, S, Zhao, A, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2015-09-05 | Release date: | 2016-09-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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
| The crystal structure of FGFR4 kinase domain in complex with LY2874455 | Descriptor: | 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4 | Authors: | Wu, D, Chen, L, Chen, Y. | Deposit date: | 2016-04-26 | Release date: | 2016-10-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Crystal Structure of the FGFR4/LY2874455 Complex Reveals Insights into the Pan-FGFR Selectivity of LY2874455 Plos One, 11, 2016
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6OC4
| CSP1-cyc(Dab6E10) | Descriptor: | Competence-stimulating peptide type 1 | Authors: | Yang, Y. | Deposit date: | 2019-03-21 | Release date: | 2020-01-08 | Last modified: | 2020-02-05 | Method: | SOLUTION NMR | Cite: | 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
| Solution Structure of the Cytotoxic RC-RNase 3 with a Pyroglutamate Residue at the N-terminus | Descriptor: | RC-RNase 3 | Authors: | Lou, Y.C, Huang, Y.C, Pan, Y.R, Chen, C, Liao, Y.D. | Deposit date: | 2005-03-18 | Release date: | 2006-02-28 | Last modified: | 2019-12-25 | Method: | SOLUTION NMR | Cite: | 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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