7AKS
 
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7AOG
 | | 14-3-3 sigma in complex with Pin1 binding site pS72 | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2020-10-14 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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6U6L
 | | BRD4-BD2 in complex with the cyclic peptide 3.1_2 | | Descriptor: | AMINO GROUP, Bromodomain-containing protein 4, Cyclic peptide 3.1_2, ... | | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | | Deposit date: | 2019-08-30 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5OHG
 | | enolase in complex with RNase E | | Descriptor: | Enolase, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Du, D, Luisi, B.F. | | Deposit date: | 2017-07-16 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Analysis of the natively unstructured RNA/protein-recognition core in the Escherichia coli RNA degradosome and its interactions with regulatory RNA/Hfq complexes.
Nucleic Acids Res., 46, 2018
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5OID
 | | Complex Trichoplax STIL-NTD:human CEP85 coiled coil domain 4 | | Descriptor: | Centrosomal protein of 85 kDa, Putative uncharacterized protein | | Authors: | van Breugel, M. | | Deposit date: | 2017-07-18 | | Release date: | 2018-04-18 | | Last modified: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (4.6 Å) | | Cite: | Direct binding of CEP85 to STIL ensures robust PLK4 activation and efficient centriole assembly.
Nat Commun, 9, 2018
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6UFH
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7AZ1
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1013 | | Descriptor: | 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole, 14-3-3 protein sigma, CALCIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Ottmann, C. | | Deposit date: | 2020-11-14 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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6UO5
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) Y363F mutant complexed with AR-42 | | Descriptor: | 1,2-ETHANEDIOL, AR-42, Histone deacetylase 6, ... | | Authors: | Osko, J.D, Christianson, D.W. | | Deposit date: | 2019-10-14 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.43934226 Å) | | Cite: | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
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5OIQ
 | | InhA (T2A mutant) complexed with 2,6-dimethyl-3-phenylpyridin-4(1H)-one | | Descriptor: | 2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Convery, M.A. | | Deposit date: | 2017-07-19 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
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5O6E
 | | Structure of ScPif1 in complex with TTTGGGTT and ADP-AlF4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, CHLORIDE ION, ... | | Authors: | Lu, K.Y, Chen, W.F, Rety, S, Liu, N.N, Xu, X.G. | | Deposit date: | 2017-06-06 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.345 Å) | | Cite: | Insights into the structural and mechanistic basis of multifunctional S. cerevisiae Pif1p helicase.
Nucleic Acids Res., 46, 2018
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6SD0
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5O6S
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7AY6
 | | Crystal structure of the PDE4D catalytic domain in complex with GEBR-41b | | Descriptor: | 1,2-ETHANEDIOL, 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone, MAGNESIUM ION, ... | | Authors: | Torretta, A, Abbate, S, Parisini, E. | | Deposit date: | 2020-11-11 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Eur.J.Med.Chem., 223, 2021
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5O75
 | | Ube4B U-box domain | | Descriptor: | SULFATE ION, Ubiquitin conjugation factor E4 B | | Authors: | Gabrielsen, M, Buetow, L, Nakasone, M.A, Huang, D.T. | | Deposit date: | 2017-06-08 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.483 Å) | | Cite: | A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants.
Mol. Cell, 68, 2017
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7AX0
 | | Crystal structure of the computationally designed Scone-E protein co-crystallized with STA form a | | Descriptor: | Keggin (STA), PHOSPHATE ION, SconeE | | Authors: | Mylemans, B, Vandebroek, L, Parac-Vogt, T.N, Voet, A.R.D. | | Deposit date: | 2020-11-09 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of Scone: pseudosymmetric folding of a symmetric designer protein.
Acta Crystallogr D Struct Biol, 77, 2021
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5O79
 | | Klebsiella pneumoniae OmpK36 | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, OmpK36 | | Authors: | van den berg, B, Pathania, M. | | Deposit date: | 2017-06-08 | | Release date: | 2018-06-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Acs Infect Dis., 4, 2018
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5O7U
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5OKB
 | | High resolution structure of native Gan1D, a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus | | Descriptor: | GLYCEROL, IMIDAZOLE, PHOSPHATE ION, ... | | Authors: | Lansky, S, Zehavi, A, Shoham, Y, Shoham, G. | | Deposit date: | 2017-07-25 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.331 Å) | | Cite: | Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
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6SF0
 | | Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 2 in the presence of NADP+ | | Descriptor: | Ancestral Flavin-containing monooxygenase (FMO) 2, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Nicoll, C, Bailleul, G, Fiorentini, F, Mascotti, M.L, Fraaije, M, Mattevi, A. | | Deposit date: | 2019-07-30 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs.
Nat.Struct.Mol.Biol., 27, 2020
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5OL4
 | | 1.28 A resolution of Sporosarcina pasteurii urease inhibited in the presence of NBPT | | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, Phosphoramidothioic O,O-acid, ... | | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | | Deposit date: | 2017-07-26 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Urease Inhibition in the Presence of N-(n-Butyl)thiophosphoric Triamide, a Suicide Substrate: Structure and Kinetics.
Biochemistry, 56, 2017
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5OLM
 | | TRIM21 | | Descriptor: | E3 ubiquitin-protein ligase TRIM21, ZINC ION | | Authors: | James, L.C. | | Deposit date: | 2017-07-28 | | Release date: | 2018-04-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Intracellular antibody signalling is regulated by phosphorylation of the Fc receptor TRIM21.
Elife, 7, 2018
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5OLR
 | | Rhamnogalacturonan lyase | | Descriptor: | CALCIUM ION, PHOSPHATE ION, Rhamnogalacturonan lyase, ... | | Authors: | Basle, A, Luis, A.S, Gilbert, H.J. | | Deposit date: | 2017-07-28 | | Release date: | 2017-11-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Nat Microbiol, 3, 2018
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5O9D
 | | Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, Y54F, F43H, H39Y | | Descriptor: | (2~{S})-2-methylpentanedioic acid, Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | Deposit date: | 2017-06-19 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a nonpreferred alcohol enantiomer.
FEBS J., 284, 2017
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6SHY
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6SI5
 | | T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)pyridin-2(1H)-one | | Descriptor: | 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one, Farnesyl diphosphate synthase, SULFATE ION | | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | | Deposit date: | 2019-08-08 | | Release date: | 2020-08-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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