8P5C
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![BU of 8p5c by Molmil](/molmil-images/mine/8p5c) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P5B
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![BU of 8p5b by Molmil](/molmil-images/mine/8p5b) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P56
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![BU of 8p56 by Molmil](/molmil-images/mine/8p56) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar X77. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P87
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![BU of 8p87 by Molmil](/molmil-images/mine/8p87) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM X77, from an "old" crystal. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-31 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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7P51
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![BU of 7p51 by Molmil](/molmil-images/mine/7p51) | CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE COMPLEXED WITH FRAGMENT F01 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide, ... | Authors: | Hanoulle, X, Moschidi, D. | Deposit date: | 2021-07-13 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.474 Å) | Cite: | NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment. Angew.Chem.Int.Ed.Engl., 60, 2021
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8P54
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![BU of 8p54 by Molmil](/molmil-images/mine/8p54) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar MG-132. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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7OKC
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![BU of 7okc by Molmil](/molmil-images/mine/7okc) | Crystal structure of Escherichia coli LpxA in complex with compound 1 | Descriptor: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SODIUM ION | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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8P58
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![BU of 8p58 by Molmil](/molmil-images/mine/8p58) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer R. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P86
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![BU of 8p86 by Molmil](/molmil-images/mine/8p86) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM MG-132, from an "old" crystal. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-31 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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7P1S
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![BU of 7p1s by Molmil](/molmil-images/mine/7p1s) | Structure of KDNase from Trichophyton Rubrum in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid. | Descriptor: | 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, Extracellular sialidase/neuraminidase, SODIUM ION | Authors: | Gloster, T.M, McMahon, S.A. | Deposit date: | 2021-07-02 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens. Acs Chem.Biol., 16, 2021
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8QOP
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![BU of 8qop by Molmil](/molmil-images/mine/8qop) | |
2CC8
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![BU of 2cc8 by Molmil](/molmil-images/mine/2cc8) | Complexes of Dodecin with Flavin and Flavin-like Ligands | Descriptor: | CHLORIDE ION, MAGNESIUM ION, RIBOFLAVIN, ... | Authors: | Grininger, M, Zeth, K, Oesterhelt, D. | Deposit date: | 2006-01-13 | Release date: | 2006-01-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dodecins: A Family of Lumichrome Binding Proteins. J.Mol.Biol., 357, 2006
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7P1R
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![BU of 7p1r by Molmil](/molmil-images/mine/7p1r) | |
8ELK
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![BU of 8elk by Molmil](/molmil-images/mine/8elk) | HRAS R97F Crystal Form 1 | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Johnson, C.W, Mattos, C. | Deposit date: | 2022-09-26 | Release date: | 2023-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Allosteric site variants affect GTP hydrolysis on Ras. Protein Sci., 32, 2023
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8ELL
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![BU of 8ell by Molmil](/molmil-images/mine/8ell) | Apo human biliverdin reductase beta (cryogenic) | Descriptor: | Flavin reductase (NADPH), SODIUM ION | Authors: | McLeod, M.J, Eisenmesser, E.Z, Lee, E, Thorne, R.E. | Deposit date: | 2022-09-26 | Release date: | 2023-09-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Identifying structural and dynamic changes during the Biliverdin Reductase B catalytic cycle. Front Mol Biosci, 10, 2023
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7O22
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![BU of 7o22 by Molmil](/molmil-images/mine/7o22) | |
2E4N
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![BU of 2e4n by Molmil](/molmil-images/mine/2e4n) | |
7O1Y
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![BU of 7o1y by Molmil](/molmil-images/mine/7o1y) | |
7O1W
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![BU of 7o1w by Molmil](/molmil-images/mine/7o1w) | |
7O20
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![BU of 7o20 by Molmil](/molmil-images/mine/7o20) | |
2E8R
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![BU of 2e8r by Molmil](/molmil-images/mine/2e8r) | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 | Descriptor: | Probable diphthine synthase, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION | Authors: | Asada, Y, Taketa, M, Shimada, H, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-01-23 | Release date: | 2007-07-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 To be Published
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7NZJ
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![BU of 7nzj by Molmil](/molmil-images/mine/7nzj) | Structure of bsTrmB apo | Descriptor: | GLYCEROL, SODIUM ION, tRNA (guanine-N(7)-)-methyltransferase | Authors: | Blersch, K.F, Ficner, R, Neumann, P. | Deposit date: | 2021-03-24 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA. Rna Biol., 18, 2021
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2EIT
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![BU of 2eit by Molmil](/molmil-images/mine/2eit) | Crystal analysis of delta1-pyrroline-5-carboxylate dehydrogenase from Thermus thermophilus with bound L-alanine and NAD | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-pyrroline-5-carboxylate dehydrogenase, ACETATE ION, ... | Authors: | Inagaki, E, Sakamoto, K, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-13 | Release date: | 2007-09-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure analysis of delta1-pyrroline-5-carboxylate dehydrogenase in ternary complex with inhibitor and NAD To be Published
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8RVC
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![BU of 8rvc by Molmil](/molmil-images/mine/8rvc) | Crystal structure of alpha keto acid C-methyl-transferases MrsA bound to ketoarginine | Descriptor: | 1,2-ETHANEDIOL, 2-ketoarginine methyltransferase, 5-[(diaminomethylidene)amino]-2-oxopentanoic acid, ... | Authors: | Gerhardt, S, Kemper, F, Andexer, J.N. | Deposit date: | 2024-02-01 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.969 Å) | Cite: | Structures and Protein Engineering of the alpha-Keto Acid C-Methyltransferases SgvM and MrsA for Rational Substrate Transfer. Chembiochem, 2024
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8RQQ
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![BU of 8rqq by Molmil](/molmil-images/mine/8rqq) | In meso structure of the adenosine A2a G protein-coupled receptor, A2aR, in 7.10 monoacylglycerol | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, 7.10 monoacylglycerol (R-form), 7.10 monoacylglycerol (S-form), ... | Authors: | Smithers, L, Krawinski, P, Caffrey, M. | Deposit date: | 2024-01-19 | Release date: | 2024-04-03 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | 7.10 MAG. A Novel Host Monoacylglyceride for In Meso (Lipid Cubic Phase) Crystallization of Membrane Proteins. Cryst.Growth Des., 24, 2024
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