4Z7X
 
 | | MdbA protein, a thiol-disulfide oxidoreductase from Actinomyces oris. | | Descriptor: | (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, MdbA | | Authors: | OSIPIUK, J, Reardon-Robinson, M.E, Ton-That, H, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-04-08 | | Release date: | 2015-04-22 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A Disulfide Bond-forming Machine Is Linked to the Sortase-mediated Pilus Assembly Pathway in the Gram-positive Bacterium Actinomyces oris.
J.Biol.Chem., 290, 2015
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5APO
 | | Structure of the yeast 60S ribosomal subunit in complex with Arx1, Alb1 and C-terminally tagged Rei1 | | Descriptor: | 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | Authors: | Greber, B.J, Gerhardy, S, Leitner, A, Leibundgut, M, Salem, M, Boehringer, D, Leulliot, N, Aebersold, R, Panse, V.G, Ban, N. | | Deposit date: | 2015-09-17 | | Release date: | 2015-12-16 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Insertion of the Biogenesis Factor Rei1 Probes the Ribosomal Tunnel during 60S Maturation.
Cell(Cambridge,Mass.), 164, 2016
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4Z2H
 | | Serratia marcescens Chitinase B complexed with macrolide inhibitor 29 | | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate, CHLORIDE ION, Chitinase B, ... | | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | | Deposit date: | 2015-03-30 | | Release date: | 2015-07-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
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8QFW
 | | Murine pyridoxal phosphatase in complex with 7,8-dihydroxyflavone | | Descriptor: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CITRIC ACID, Chronophin, ... | | Authors: | Schindelin, H, Gohla, A. | | Deposit date: | 2023-09-05 | | Release date: | 2024-06-12 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024
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5KLM
 | | Crystal structure of 2-hydroxymuconate-6-semialdehyde derived intermediate in NAD(+)-bound 2-aminomuconate 6-semialdehyde dehydrogenase N169D | | Descriptor: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | | Deposit date: | 2016-06-24 | | Release date: | 2016-11-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
J.Biol.Chem., 291, 2016
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4Z44
 | | F454K Mutant of Tryptophan 7-halogenase PrnA | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ... | | Authors: | Shepherd, S.A, Karthikeyan, C, Latham, J, Struck, A.-W, Thompson, M.L, Menon, B, Levy, C.W, Leys, D, Micklefield, J. | | Deposit date: | 2015-04-01 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.204 Å) | | Cite: | Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes.
Chem Sci, 6, 2015
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7LYJ
 | | SARS-CoV-2 frameshifting pseudoknot RNA | | Descriptor: | IRIDIUM HEXAMMINE ION, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Jones, C.P, Ferre-D'Amare, A.R. | | Deposit date: | 2021-03-07 | | Release date: | 2021-05-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) frameshifting pseudoknot.
Rna, 28, 2022
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7U8Z
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with fluorinated peptoid inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide, ACETATE ION, ... | | Authors: | Watson, P.R, Cragin, A.D, Christianson, D.W. | | Deposit date: | 2022-03-09 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Development of Fluorinated Peptoid-Based Histone Deacetylase (HDAC) Inhibitors for Therapy-Resistant Acute Leukemia.
J.Med.Chem., 65, 2022
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5NND
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H3K9ac/K14ac) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Histone H3 | | Authors: | Filippakopoulos, P, Picaud, S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | Deposit date: | 2017-04-08 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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5KOU
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4YQZ
 | | Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form | | Descriptor: | CHLORIDE ION, Putative oxidoreductase | | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-03-13 | | Release date: | 2015-03-25 | | Method: | X-RAY DIFFRACTION (1.807 Å) | | Cite: | Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form
To be published
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5NNR
 | | Structure of Naa15/Naa10 bound to HypK-THB | | Descriptor: | HypK, N-terminal acetyltransferase-like protein, Naa10 | | Authors: | Weyer, F.A, Gumiero, A, Kopp, J, Sinning, I. | | Deposit date: | 2017-04-10 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis of HypK regulating N-terminal acetylation by the NatA complex.
Nat Commun, 8, 2017
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6Z2P
 | | Crystal structure of catalytic inactive OgpA from Akkermansia muciniphila in complex with an O-glycopeptide (glycodrosocin) substrate | | Descriptor: | CALCIUM ION, Glycodrosocin, O-glycan protease, ... | | Authors: | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | | Deposit date: | 2020-05-18 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila.
Nat Commun, 11, 2020
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6WFL
 | | Camphor soaked P450cam D251E | | Descriptor: | 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | Authors: | Amaya, J.A, Poulos, T.L, Batabyal, D. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
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8AR7
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8AR8
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6G25
 | | X-ray structure of NSD3-PWWP1 in complex with compound 4 | | Descriptor: | 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | Deposit date: | 2018-03-22 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.432 Å) | | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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6G2B
 | | X-ray structure of NSD3-PWWP1 in complex with compound 8 | | Descriptor: | 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3 | | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | Deposit date: | 2018-03-22 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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6S63
 | | Dark-adapted structure of Archaerhodopsin-3 obtained from LCP crystals using a thin-film sandwich at room temperature | | Descriptor: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Moraes, I, Judge, P.J, Axford, D, Bada Juarez, J.F, Vinals, J, Watts, A. | | Deposit date: | 2019-07-02 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Two states of a light-sensitive membrane protein captured at room temperature using thin-film sample mounts.
Acta Crystallogr D Struct Biol, 78, 2022
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5KTC
 | | FdhC with bound products: Coenzyme A and 3-[(R)-3-hydroxybutanoylamino]-3,6-dideoxy-d-galactose | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, FdhC, ... | | Authors: | Salinger, A.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2016-07-11 | | Release date: | 2016-07-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Functional Investigation of FdhC from Acinetobacter nosocomialis: A Sugar N-Acyltransferase Belonging to the GNAT Superfamily.
Biochemistry, 55, 2016
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5NA4
 | | NADH:quinone oxidoreductase (NDH-II) from Staphylococcus aureus - E172S mutant | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH dehydrogenase-like protein SAOUHSC_00878 | | Authors: | Brito, J.A, Athayde, D, Sousa, F.M, Sena, F.V, Pereira, M.M, Archer, M. | | Deposit date: | 2017-02-27 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus.
Biochim. Biophys. Acta, 1858, 2017
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6WW7
 | | Structure of the human ER membrane protein complex in a lipid nanodisc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ER Membrane Protein Complex Subunit 4, ... | | Authors: | Tomaleri, G.P, Januszyk, K, Pleiner, T, Inglis, A.J, Voorhees, R.M. | | Deposit date: | 2020-05-08 | | Release date: | 2020-05-27 | | Last modified: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for membrane insertion by the human ER membrane protein complex.
Science, 369, 2020
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6ZDA
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4Y4X
 | | Endothiapepsin in complex with fragment 51 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one, DIMETHYL SULFOXIDE, ... | | Authors: | Radeva, N, Heine, A, Klebe, G. | | Deposit date: | 2015-02-11 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5N5S
 | | Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with NADP+ | | Descriptor: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase 21 (ALDH21), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Kopecny, D, Vigouroux, A, Briozzo, P, Morera, S. | | Deposit date: | 2017-02-14 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase.
Plant J., 92, 2017
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