8CP5
 
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7NH8
 | | Crystal structure of human carbonic anhydrase II with N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide | | Descriptor: | Carbonic anhydrase 2, N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide, ZINC ION | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2021-02-10 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.369 Å) | | Cite: | Synthesis of Azasugar-Sulfonamide conjugates and their Evaluation as Inhibitors of Carbonic Anhydrases: the Azasugar Approach to Selectivity
Eur.J.Org.Chem., 2021
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8CDQ
 | | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S | | Descriptor: | 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, GLYCEROL, ... | | Authors: | Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Schaletzky, J, Wehri, E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A. | | Deposit date: | 2023-01-31 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
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8CQF
 | | Crystal Structure of a Chimeric Alpha-Amylase from Pseudoalteromonas Haloplanktis Complexed with Rearranged Acarbose | | Descriptor: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-1,5-anhydro-D-glucitol, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Skagseth, S, Griese, J.J, Lund, B.A, van der Ent, F, Aqvist, J. | | Deposit date: | 2023-03-06 | | Release date: | 2023-06-21 | | Last modified: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Computational design of the temperature optimum of an enzyme reaction.
Sci Adv, 9, 2023
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8CP2
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5MOI
 | | Crystal structure of human IgE-Fc epsilon 3-4 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ... | | Authors: | Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J. | | Deposit date: | 2016-12-14 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
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5MEP
 | | Human Leukocyte Antigen A02 presenting ILGKFLHWL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Lloyd, A, Crowther, M, Sewell, A.K. | | Deposit date: | 2016-11-16 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
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6MOZ
 | | Structure of acid-beta-glucosidase in complex with an aromatic pyrrolidine iminosugar inhibitor | | Descriptor: | (2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Patterson-Orazem, A.C, Lieberman, R.L. | | Deposit date: | 2018-10-05 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Exploring substituent diversity on pyrrolidine-aryltriazole iminosugars: Structural basis of beta-glucocerebrosidase inhibition.
Bioorg.Chem., 86, 2019
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6MOP
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6MOS
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7B73
 | | Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2. | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Short-chain dehydrogenase/reductase SDR | | Authors: | Wessel, J, Petrillo, G, Estevez, M, Bosh, S, Seeger, M, Dijkman, W.P, Hidalgo, A, Uson, I, Osuna, S, Schallmey, A. | | Deposit date: | 2020-12-09 | | Release date: | 2021-04-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
Febs J., 288, 2021
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8EW9
 | | Crystal structure of Saccharomyces cerevisiae Altered Inheritance rate of Mitochondria protein 46 (AIM46p) | | Descriptor: | 2-OXOGLUTARIC ACID, Altered inheritance of mitochondria protein 46, mitochondrial | | Authors: | Bingman, C.A, Schmitz, J.M, Smith, R.W, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2022-10-21 | | Release date: | 2023-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Aim18p and Aim46p are chalcone isomerase domain-containing mitochondrial hemoproteins in Saccharomyces cerevisiae.
J.Biol.Chem., 299, 2023
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8EW8
 | | Crystal structure of Saccharomyces cerevisiae Altered Inheritance rate of Mitochondria protein 18 (AIM18p) R123A mutant | | Descriptor: | Altered inheritance of mitochondria protein 18, mitochondrial, SULFATE ION | | Authors: | Bingman, C.A, Schmitz, J.M, Smith, R.W, Pagliarini, D.J. | | Deposit date: | 2022-10-21 | | Release date: | 2023-03-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Aim18p and Aim46p are chalcone isomerase domain-containing mitochondrial hemoproteins in Saccharomyces cerevisiae.
J.Biol.Chem., 299, 2023
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7PK0
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6MRI
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8EPX
 | | Type IIS Restriction Endonuclease PaqCI, DNA bound | | Descriptor: | CALCIUM ION, DNA 1a, DNA 1b, ... | | Authors: | Kennedy, M.A, Stoddard, B.L. | | Deposit date: | 2022-10-06 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Structures, activity and mechanism of the Type IIS restriction endonuclease PaqCI.
Nucleic Acids Res., 51, 2023
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7NL8
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6P0D
 | | Human DNA Ligase 1 (E346A/E592A) Bound to an Adenylated, hydroxyl terminated DNA nick | | Descriptor: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ... | | Authors: | Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. | | Deposit date: | 2019-05-16 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
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6V4C
 | | Culex quinquefasciatus D7 long form 1- CxD7L1 in complex with ADP | | Descriptor: | 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Calvo, E, Garboczi, D.N, Martin-Martin, I, Gittis, A.G. | | Deposit date: | 2019-11-27 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | ADP binding by the Culex quinquefasciatus mosquito D7 salivary protein enhances blood feeding on mammals.
Nat Commun, 11, 2020
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6N0T
 | | tRNA ligase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Banerjee, A, Goldgur, Y, Shuman, S. | | Deposit date: | 2018-11-07 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.511 Å) | | Cite: | Structure and two-metal mechanism of fungal tRNA ligase.
Nucleic Acids Res., 47, 2019
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7NHW
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6P96
 | | OXA-48 carbapanemase, apo form | | Descriptor: | Beta-lactamase, CADMIUM ION, CALCIUM ION, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2019-06-10 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
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6UWT
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6P9C
 | | OXA-48 carbapanemase, doripenem complex | | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2019-06-10 | | Release date: | 2019-08-07 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
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6Y8D
 | | 14-3-3 Sigma in complex with phosphorylated caspase{pS164} peptide | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | | Deposit date: | 2020-03-04 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
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