8PRK
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![BU of 8prk by Molmil](/molmil-images/mine/8prk) | THE R78K AND D117E ACTIVE SITE VARIANTS OF SACCHAROMYCES CEREVISIAE SOLUBLE INORGANIC PYROPHOSPHATASE: STRUCTURAL STUDIES AND MECHANISTIC IMPLICATIONS | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, PROTEIN (INORGANIC PYROPHOSPHATASE) | Authors: | Tuominen, V, Heikinheimo, P, Kajander, T, Torkkel, T, Hyytia, T, Kapyla, J, Lahti, R, Cooperman, B.S, Goldman, A. | Deposit date: | 1998-09-16 | Release date: | 1998-12-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The R78K and D117E active-site variants of Saccharomyces cerevisiae soluble inorganic pyrophosphatase: structural studies and mechanistic implications. J.Mol.Biol., 284, 1998
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8C0P
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6V7L
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![BU of 6v7l by Molmil](/molmil-images/mine/6v7l) | The structure of the P212121 crystal form of canavalin at 173 K | Descriptor: | BENZOIC ACID, Canavalin | Authors: | McPherson, A. | Deposit date: | 2019-12-08 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding of benzoic acid and anions within the cupin domains of the vicilin protein canavalin from jack bean (Canavalia ensiformis): Crystal structures. Biochem.Biophys.Res.Commun., 524, 2020
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7SSI
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6N13
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![BU of 6n13 by Molmil](/molmil-images/mine/6n13) | UbcH7-Ub Complex with R0RBR Parkin and phosphoubiquitin | Descriptor: | E3 ubiquitin-protein ligase parkin, Ubiquitin-conjugating enzyme E2 L3, ZINC ION, ... | Authors: | Condos, T.E.C, Dunkerley, K.M, Freeman, E.A, Barber, K.R, Aguirre, J.D, Chaugule, V.K, Xiao, Y, Konermann, L, Walden, H, Shaw, G.S. | Deposit date: | 2018-11-08 | Release date: | 2018-11-28 | Last modified: | 2020-01-08 | Method: | SOLUTION NMR | Cite: | Synergistic recruitment of UbcH7~Ub and phosphorylated Ubl domain triggers parkin activation. EMBO J., 37, 2018
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8TA4
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![BU of 8ta4 by Molmil](/molmil-images/mine/8ta4) | Cryo-EM structure of the human CLC-2 chloride channel transmembrane domain with symmetric C-terminal | Descriptor: | CHLORIDE ION, Chloride channel protein 2 | Authors: | Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M. | Deposit date: | 2023-06-26 | Release date: | 2024-01-31 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism. Elife, 12, 2024
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8C4X
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![BU of 8c4x by Molmil](/molmil-images/mine/8c4x) | PAM Protease | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Nomme, J, Gavalda, S, Cioci, G, Guicherd, M, Marty, A, Duquesne, S, Ben Khaled, M. | Deposit date: | 2023-01-05 | Release date: | 2024-07-17 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | An engineered enzyme embedded into PLA to make self-biodegradable plastic. Nature, 2024
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5JXP
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![BU of 5jxp by Molmil](/molmil-images/mine/5jxp) | Crystal structure of Porphyromonas endodontalis DPP11 in alternate conformation | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CALCIUM ION, CHLORIDE ION | Authors: | Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A. | Deposit date: | 2016-05-13 | Release date: | 2017-06-14 | Last modified: | 2017-06-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Bacterial protease uses distinct thermodynamic signatures for substrate recognition. Sci Rep, 7, 2017
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8C4Z
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![BU of 8c4z by Molmil](/molmil-images/mine/8c4z) | ProteinT protease, inactive mutant S224A | Descriptor: | CALCIUM ION, Extracellular serine proteinase, GLYCEROL, ... | Authors: | Nomme, J, Gavalda, S, Cioci, G, Guicherd, M, Marty, A, Duquesne, S, Ben Khaled, M. | Deposit date: | 2023-01-05 | Release date: | 2024-07-17 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | An engineered enzyme embedded into PLA to make self-biodegradable plastic. Nature, 2024
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8CG7
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![BU of 8cg7 by Molmil](/molmil-images/mine/8cg7) | Structure of p53 cancer mutant Y220C with arylation at Cys182 and Cys277 | Descriptor: | 1,2-ETHANEDIOL, 5-iodanyl-2-methylsulfonyl-pyrimidine, Cellular tumor antigen p53, ... | Authors: | Balourdas, D.I, Pichon, M.M, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-03 | Release date: | 2023-12-13 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structure-Reactivity Studies of 2-Sulfonylpyrimidines Allow Selective Protein Arylation. Bioconjug.Chem., 34, 2023
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7ZXY
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![BU of 7zxy by Molmil](/molmil-images/mine/7zxy) | 3.15 Angstrom cryo-EM structure of the dimeric cytochrome b6f complex from Synechocystis sp. PCC 6803 with natively bound plastoquinone and lipid molecules. | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, CHLOROPHYLL A, Cytochrome B6, ... | Authors: | Malone, L.A, Procter, M.S, Farmer, D.F, Swainsbury, D.J.K, Hawkings, F.R, Pastorelli, F, Emrich-Mills, T.Z, Siebert, A, Hunter, C.N, Hitchcock, A, Johnson, M.P. | Deposit date: | 2022-05-23 | Release date: | 2022-07-06 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Cryo-EM structures of the Synechocystis sp. PCC 6803 cytochrome b6f complex with and without the regulatory PetP subunit. Biochem.J., 479, 2022
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4YT9
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![BU of 4yt9 by Molmil](/molmil-images/mine/4yt9) | Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) substrate-unbound. | Descriptor: | GLYCEROL, Peptidylarginine deiminase, SODIUM ION | Authors: | Goulas, T, Mizgalska, D, Garcia-Ferrer, I, Kantyka, T, Guevara, T, Szmigielski, B, Sroka, A, Millan, C, Uson, I, Veillard, F, Potempa, B, Mydel, P, Sola, M, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2015-03-17 | Release date: | 2015-07-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase. Sci Rep, 5, 2015
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6QWF
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![BU of 6qwf by Molmil](/molmil-images/mine/6qwf) | The Transcriptional Regulator PrfA-A94V mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif | Descriptor: | DNA (30-MER), GLYCEROL, Listeriolysin positive regulatory factor A | Authors: | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | Deposit date: | 2019-03-05 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes. J.Bacteriol., 202, 2020
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6FZI
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![BU of 6fzi by Molmil](/molmil-images/mine/6fzi) | Crystal Structure of a Clostridial Dehydrogenase at 2.55 Angstroems Resolution | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Gomez, S, Querol-Garcia, J, Sanchez-Barron, G, Subias, M, Gonzalez-Alsina, A, Melchor-Tafur, C, Franco-Hidalgo, V, Alberti, S, Rodriguez de Cordoba, S, Fernandez, F.J, Vega, M.C. | Deposit date: | 2018-03-14 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Antimicrobials Anacardic Acid and Curcumin Are Not-Competitive Inhibitors of Gram-Positive Bacterial Pathogenic Glyceraldehyde-3-Phosphate Dehydrogenase by a Mechanism Unrelated to Human C5a Anaphylatoxin Binding. Front Microbiol, 10, 2019
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6XWN
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7SOI
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![BU of 7soi by Molmil](/molmil-images/mine/7soi) | Structure of I552A Soybean Lipoxygenase at 277K | Descriptor: | FE (III) ION, Lipoxygenase, SODIUM ION | Authors: | Gee, C.L, Offenbacher, A.R, Hu, S. | Deposit date: | 2021-10-31 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Temporal and spatial resolution of distal protein motions that activate hydrogen tunneling in soybean lipoxygenase. Proc.Natl.Acad.Sci.USA, 120, 2023
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7TCT
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![BU of 7tct by Molmil](/molmil-images/mine/7tct) | Integrin alaphIIBbeta3 complex with UR2922 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | Deposit date: | 2021-12-28 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7SSK
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![BU of 7ssk by Molmil](/molmil-images/mine/7ssk) | Human P300 complexed with a glycine-based inhibitor | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase p300, ... | Authors: | Shewchuk, L.M, Reid, R.A. | Deposit date: | 2021-11-11 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening. J.Med.Chem., 65, 2022
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6QZ8
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![BU of 6qz8 by Molmil](/molmil-images/mine/6qz8) | Structure of Mcl-1 in complex with compound 10d | Descriptor: | (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-11 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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5JZG
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![BU of 5jzg by Molmil](/molmil-images/mine/5jzg) | CryoEM structure of the native empty particle of a human rhinovirus C | Descriptor: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3 | Authors: | Liu, Y, Hill, M.G, Klose, T, Chen, Z, Watters, K.E, Jiang, W, Palmenberg, A.C, Rossmann, M.G. | Deposit date: | 2016-05-16 | Release date: | 2016-07-13 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Atomic structure of a rhinovirus C, a virus species linked to severe childhood asthma. Proc.Natl.Acad.Sci.USA, 113, 2016
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5N1C
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8PRX
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![BU of 8prx by Molmil](/molmil-images/mine/8prx) | Crystal structure of human cathepsin L after reaction with the bound ketoamide inhibitor 13b | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2023-07-12 | Release date: | 2023-08-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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5N1N
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5K09
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![BU of 5k09 by Molmil](/molmil-images/mine/5k09) | Crystal Structure of COMT in complex with a thiazole ligand | Descriptor: | 5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, PHOSPHATE ION, ... | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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5N0L
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![BU of 5n0l by Molmil](/molmil-images/mine/5n0l) | The structure of the cofactor binding GAF domain of the nutrient sensor CodY from Clostridium difficile | Descriptor: | GTP-sensing transcriptional pleiotropic repressor CodY, ISOLEUCINE | Authors: | Levdikov, V.M, Blagova, E.V, Wilkinson, A.J, Sonenshein, A.L. | Deposit date: | 2017-02-03 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Impact of CodY protein on metabolism, sporulation and virulence in Clostridioides difficile ribotype 027. Plos One, 14, 2019
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