5BKC
| Crystal structure of AAD-1 in complex with (R)-diclofop, Mn(II), and 2-oxoglutarate | Descriptor: | (2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2019-06-02 | Release date: | 2019-06-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
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5BKB
| Crystal structure of AAD-1 in complex with (R)-dichlorprop, Mn(II), and 2-oxoglutarate | Descriptor: | (2R)-2-(2,4-dichlorophenoxy)propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2019-06-02 | Release date: | 2019-06-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.582 Å) | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
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8R3E
| Huntingtin, 1-17, MBP-N | Descriptor: | Maltodextrin-binding protein, ZINC ION | Authors: | Steinbacher, S, Toledo-Sherman, L, Dominguez, C. | Deposit date: | 2023-11-08 | Release date: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Post-translational modifications in the first 17 amino acids of huntingtin influence self-association and interaction with membranes To Be Published
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8R2O
| Huntingtin-Q17, 1-66, N-MBP fusion | Descriptor: | Maltodextrin-binding protein,Huntingtin, myristoylated N-terminal fragment, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Toledo-Sherman, L, Dominguez, C. | Deposit date: | 2023-11-07 | Release date: | 2024-09-18 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Post-translational modifications in the first 17 amino acids of huntingtin influence self-association and interaction with membranes To Be Published
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5CMI
| GTA mutant without mercury - E303D | Descriptor: | Histo-blood group ABO system transferase | Authors: | Gagnon, S.M.L, Blackler, R.J. | Deposit date: | 2015-07-16 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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3W57
| Structure of a C2 domain | Descriptor: | C2 domain protein, CALCIUM ION | Authors: | Traore, D.A.K, Whisstock, J.C. | Deposit date: | 2013-01-24 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.662 Å) | Cite: | Defining the interaction of perforin with calcium and the phospholipid membrane. Biochem.J., 456, 2013
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5CMF
| GTA mutant with mercury - E303A | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | Authors: | Gagnon, S.M.L, Blackler, R.J. | Deposit date: | 2015-07-16 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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5CMG
| GTA mutant with mercury- E303C | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | Authors: | Gagnon, S.M, Blackler, R.J. | Deposit date: | 2015-07-16 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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5CMJ
| GTA mutant with mercury - E303Q | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | Authors: | Gagnon, S.M.L, Blackler, R.J. | Deposit date: | 2015-07-16 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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5CMH
| GTA mutant with mercury - E303D | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | Authors: | Gagnon, S.M.L, Blackler, R.J. | Deposit date: | 2015-07-16 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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5CQO
| GTB mutant with mercury - E303D | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | Authors: | Gagnon, S.M.L, Blackler, R.J. | Deposit date: | 2015-07-21 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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5CQL
| GTB mutant with mercury - E303A | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | Authors: | Gagnon, S.M.L, Blackler, R.J. | Deposit date: | 2015-07-22 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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8RZB
| IL-1beta in complex with covalent DEL hit | Descriptor: | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta | Authors: | Rondeau, J.-M, Lehmann, S. | Deposit date: | 2024-02-12 | Release date: | 2024-05-22 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.836 Å) | Cite: | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches. J.Med.Chem., 67, 2024
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5CQN
| GTB mutant without mercury - E303C | Descriptor: | Histo-blood group ABO system transferase | Authors: | Gagnon, S.M.L, Blackler, R.J. | Deposit date: | 2015-07-22 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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8RYK
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5CQP
| GTB mutant with mercury - E303Q | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | Authors: | Gagnon, S.M.L, Blackler, R.J. | Deposit date: | 2015-07-21 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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5CQM
| GTB mutant with mercury - E303C | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | Authors: | Gagnon, S.M.L, Blackler, R.J. | Deposit date: | 2015-07-22 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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8RYS
| Human IL-1beta, unliganded | Descriptor: | Interleukin-1 beta, SULFATE ION | Authors: | Rondeau, J.-M, Lehmann, S. | Deposit date: | 2024-02-09 | Release date: | 2024-03-06 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches. J.Med.Chem., 67, 2024
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8SXR
| Crystal structure of SARS-CoV-2 Mpro with C5a | Descriptor: | 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide | Authors: | Worrall, L.J, Kenward, C, Lee, J, Strynadka, N.C.J. | Deposit date: | 2023-05-23 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.114 Å) | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants. Emerg Microbes Infect, 12, 2023
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5DTJ
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5BKD
| Crystal structure of AAD-1 in complex with (R)-cyhalofop, Mn(II), and 2-oxoglutarate | Descriptor: | (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2019-06-02 | Release date: | 2019-06-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
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5DTI
| Crystal structure of mouse acetylcholinesterase | Descriptor: | Acetylcholinesterase | Authors: | Tran, T.H, Tong, L. | Deposit date: | 2015-09-18 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Discovery of New Classes of Compounds that Reactivate Acetylcholinesterase Inhibited by Organophosphates. Chembiochem, 16, 2015
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3W56
| Structure of a C2 domain | Descriptor: | C2 domain protein | Authors: | Traore, D.A.K, Whisstock, J.C. | Deposit date: | 2013-01-24 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Defining the interaction of perforin with calcium and the phospholipid membrane. Biochem.J., 456, 2013
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7L06
| Cryo-EM structure of SARS-CoV-2 2P S ectodomain bound to two copies of domain-swapped antibody 2G12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2G12 heavy chain, ... | Authors: | Manne, K, Henderson, R, Acharya, P. | Deposit date: | 2020-12-11 | Release date: | 2020-12-30 | Last modified: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies. Cell, 184, 2021
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4DWG
| Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-heptylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Farnesyl pyrophosphate synthase, ... | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2012-02-24 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
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