7BXD
| Crystal structure of Ca_00815 | Descriptor: | GDSL-like protein | Authors: | Fan, C.P. | Deposit date: | 2020-04-19 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Crystal structure of Ca_00815 To Be Published
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6U98
| Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 6 | Descriptor: | 3-{[(3R)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride, Heat shock protein HSP 90-alpha, POTASSIUM ION, ... | Authors: | Cuesta, A, Wan, X, Taunton, J. | Deposit date: | 2019-09-06 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90. J.Am.Chem.Soc., 142, 2020
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6U9B
| Hsp90a NTD covalently bound to sulfonyl fluoride 5 at K58 | Descriptor: | 3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride, Heat shock protein HSP 90-alpha | Authors: | Cuesta, A, Wan, X, Taunton, J. | Deposit date: | 2019-09-07 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90. J.Am.Chem.Soc., 142, 2020
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7BJC
| Inulosucrase from Halalkalicoccus jeotgali in complex with sucrose | Descriptor: | Levansucrase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Ghauri, K, Pijning, T, Munawar, N, Ali, H, Ghauri, M.A, Anwar, M.A, Wallis, R. | Deposit date: | 2021-01-14 | Release date: | 2021-04-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Crystal structure of an inulosucrase from Halalkalicoccus jeotgali B3T, a halophilic archaeal strain. Febs J., 288, 2021
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5OC9
| Crystal Structure of human TMEM16K / Anoctamin 10 | Descriptor: | (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, Anoctamin-10, CALCIUM ION | Authors: | Bushell, S.R, Pike, A.C.W, Chu, A, Tessitore, A, Rotty, B, Mukhopadhyay, S, Kupinska, K, Shrestha, L, Borkowska, O, Chalk, R, Burgess-Brown, N.A, Love, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-29 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K. Nat Commun, 10, 2019
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6UBQ
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5NSM
| unliganded Structure of Leucyl aminopeptidase from Trypanosoma brucei | Descriptor: | Aminopeptidase, putative, BICARBONATE ION, ... | Authors: | Timm, J, Wilson, K. | Deposit date: | 2017-04-26 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei. mSphere, 2, 2018
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5NUK
| Engineered beta-lactoglobulin: variant I56F-L39A-M107F in complex with chlorpromazine (LG-FAF-CLP) | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin, CHLORIDE ION, ... | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Lazinska, I, Szydlowska, J, Lewinski, K. | Deposit date: | 2017-04-30 | Release date: | 2018-04-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers. Int. J. Biol. Macromol., 114, 2018
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5ODE
| Structure of a novel oxidoreductase from Gloeobacter violaceus | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Gll2934 protein, SULFATE ION | Authors: | Buey, R.M, Galindo-Trigo, S, de Pereda, J.M, Balsera, M. | Deposit date: | 2017-07-05 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7BXV
| 11A1 antibody-peptide complex | Descriptor: | 1,2-ETHANEDIOL, Fab of the 11A1 antibody H chain, Fab of the 11A1 antibody L chain, ... | Authors: | Irie, K, Irie, Y, Kita, A, Miki, K. | Deposit date: | 2020-04-21 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | APOE epsilon 4 allele advances the age-dependent decline of amyloid beta clearance in the human cortex. Biorxiv, 2022
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7BAT
| A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(GgIaId)4 | Descriptor: | CC-Type2-(GgIaId)4, N-PROPANOL | Authors: | Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N. | Deposit date: | 2020-12-16 | Release date: | 2021-04-28 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states. Chem Sci, 12, 2021
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7BXC
| Crystal structure of Ca_00311 form II | Descriptor: | GDSL-like Lipase/Acylhydrolase, PHOSPHATE ION | Authors: | Fan, C.P. | Deposit date: | 2020-04-19 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of Ca_00311 form II To Be Published
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6UBN
| Crystal structure of D678E GoxA bound to glycine | Descriptor: | MAGNESIUM ION, Quinoprotein glycine oxidase, SODIUM ION | Authors: | Yukl, E.T. | Deposit date: | 2019-09-12 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Kinetic and structural evidence that Asp-678 plays multiple roles in catalysis by the quinoprotein glycine oxidase. J.Biol.Chem., 294, 2019
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7BAS
| A de novo pentameric coiled-coil assembly: CC-Type2-(TgLaId)4-W19BrPhe. | Descriptor: | CC-Type2-(TgLaId)4-W19BrPhe. | Authors: | Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N. | Deposit date: | 2020-12-16 | Release date: | 2021-04-28 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states. Chem Sci, 12, 2021
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5NV5
| Enterococcus faecalis FIC protein | Descriptor: | Fic family protein | Authors: | Veyron, S, Cherfils, J. | Deposit date: | 2017-05-03 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Ca2+-regulated deAMPylation switch in human and bacterial FIC proteins. Nat Commun, 10, 2019
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7BE3
| Human Galectin-3 in complex with LacdiNAc | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Trovao, F, Carvalho, A.L. | Deposit date: | 2020-12-22 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural Insights into the Molecular Recognition Mechanism of the Cancer and Pathogenic Epitope, LacdiNAc by Immune-Related Lectins. Chemistry, 27, 2021
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6UCW
| Multi-conformer model of Apo Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 250 K | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase | Authors: | Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S. | Deposit date: | 2019-09-17 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles. Proc.Natl.Acad.Sci.USA, 117, 2020
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5OF7
| Cu nitrite reductase serial data at varying temperatures 190K 0.48MGy | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-10 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
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7BAU
| A de novo pentameric coiled-coil assembly: CC-Type2-(TgIaId)4-W19BrPhe. | Descriptor: | CC-Type2-(TgLaId)4-W19BrPhe. | Authors: | Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N. | Deposit date: | 2020-12-16 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states. Chem Sci, 12, 2021
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5OFF
| Cu nitrite reductase serial data at varying temperatures RT 0.03MGy | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-10 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
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5NVX
| pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-fluorocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 10) | Descriptor: | Elongin-B, Elongin-C, N-[(1-fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, ... | Authors: | Gadd, M.S, Soares, P, Galdeano, C, Ciulli, A. | Deposit date: | 2017-05-04 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J. Med. Chem., 61, 2018
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5OFN
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6UE0
| Crystal structure of dihydrodipicolinate synthase from Klebsiella pneumoniae bound to pyruvate | Descriptor: | 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, SULFATE ION | Authors: | Impey, R.E, Lee, M, Hawkins, D.A, Sutton, J.M, Panjikar, S, Perugini, M.A, Soares da Costa, T.P. | Deposit date: | 2019-09-20 | Release date: | 2020-02-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Mis-annotations of a promising antibiotic target in high-priority gram-negative pathogens. Febs Lett., 594, 2020
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7ATR
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5OFY
| Crystal structure of the D183N variant of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at pH 9.0. 2.8 Ang; internal aldimine with PLP in the active site | Descriptor: | 1,4-DIETHYLENE DIOXIDE, PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase | Authors: | Giardina, G, Cutruzzola, F, Borri Voltattorni, C, Cellini, B, Montioli, R. | Deposit date: | 2017-07-11 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis. Sci Rep, 7, 2017
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