6S7E
 
 | | Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana (using PEG 3350 and NaF as precipitants) | | Descriptor: | FE (III) ION, Plant cysteine oxidase 4 | | Authors: | White, M.D, Levy, C.W, Flashman, E, McDonough, M.A. | | Deposit date: | 2019-07-04 | | Release date: | 2020-07-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8DBY
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8T5V
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4XDR
 | | Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, a bifunctional FMN transferase/FAD pyrophosphatase, D284A mutant, ADN bound form | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE, ... | | Authors: | Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V. | | Deposit date: | 2014-12-19 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Evidence for Posttranslational Protein Flavinylation in the Syphilis Spirochete Treponema pallidum: Structural and Biochemical Insights from the Catalytic Core of a Periplasmic Flavin-Trafficking Protein.
Mbio, 6, 2015
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6S7U
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(1H-indol-3-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-07-06 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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7U65
 | | Structure of E. coli dGTPase bound to T7 bacteriophage protein Gp1.2 | | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, Inhibitor of dGTPase | | Authors: | Klemm, B.P, Hsu, A.L, Borgnia, M.J, Schaaper, R.M. | | Deposit date: | 2022-03-03 | | Release date: | 2022-08-31 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanism by which T7 bacteriophage protein Gp1.2 inhibits Escherichia coli dGTPase.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5JP2
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7MQN
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7U67
 | | Structure of E. coli dGTPase bound to T7 bacteriophage protein Gp1.2 and GTP | | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, GUANOSINE-5'-TRIPHOSPHATE, Inhibitor of dGTPase, ... | | Authors: | Klemm, B.P, Hsu, A.L, Borgnia, M.J, Schaaper, R.M. | | Deposit date: | 2022-03-03 | | Release date: | 2022-08-31 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Mechanism by which T7 bacteriophage protein Gp1.2 inhibits Escherichia coli dGTPase.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6OG9
 | | Crystal structure of Green Fluorescent Protein (GFP); S65T, Y66(3,5-F2Y), H148D; circular permutant (50-51) | | Descriptor: | Crystal structure of Green Fluorescent Protein (GFP); S65T, Y66(3,5-F2Y), H148D; circular permutant (50-51) | | Authors: | Lin, C.-Y, Deng, A, Boxer, S.G. | | Deposit date: | 2019-04-02 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Unusual Spectroscopic and Electric Field Sensitivity of Chromophores with Short Hydrogen Bonds: GFP and PYP as Model Systems.
J.Phys.Chem.B, 124, 2020
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6ZU6
 | | Cu nitrite reductase from Achromobacter cycloclastes: MSOX series at 170K, dose point 1 | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... | | Authors: | Hough, M.A, Antonyuk, S.V, Strange, R.W, Hasnain, S.S. | | Deposit date: | 2020-07-21 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Nature of the copper-nitrosyl intermediates of copper nitrite reductases during catalysis.
Chem Sci, 11, 2020
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6HAR
 | | Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C | | Descriptor: | 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ... | | Authors: | Shahar, A, Cohen, I, Radisky, E, Papo, N. | | Deposit date: | 2018-08-08 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.497 Å) | | Cite: | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J.Biol.Chem., 294, 2019
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5MM4
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7U1P
 | | RFC:PCNA bound to DNA with a ssDNA gap of five nucleotides | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA - Primer, DNA - Template, ... | | Authors: | Liu, X, Gaubitz, C, Pajak, J, Kelch, B.A. | | Deposit date: | 2022-02-21 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A second DNA binding site on RFC facilitates clamp loading at gapped or nicked DNA.
Elife, 11, 2022
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4R17
 | | Ligand-induced aziridine-formation at subunit beta5 of the yeast 20S proteasome | | Descriptor: | (2S,3S)-3-methylaziridine-2-carboxylic acid, MAGNESIUM ION, Proteasome subunit alpha type-1, ... | | Authors: | Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M. | | Deposit date: | 2014-08-04 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site.
Angew.Chem.Int.Ed.Engl., 53, 2014
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6S1I
 | | Crystal Structure of DYRK1A with small molecule inhibitor | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | | Deposit date: | 2019-06-18 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Mining Public Domain Data to Develop Selective DYRK1A Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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4R4S
 | | Crystal structure of chimeric beta-lactamase cTEM-19m at 1.1 angstrom resolution | | Descriptor: | Beta-lactamase TEM,Beta-lactamase PSE-4, CHLORIDE ION, MAGNESIUM ION | | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | | Deposit date: | 2014-08-19 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function.
Sci Rep, 9, 2019
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6HAZ
 | | Crystal structure of the bromodomain of human SMARCA2 in complex with SMARCA-BD ligand | | Descriptor: | 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Probable global transcription activator SNF2L2, ZINC ION | | Authors: | Bader, G, Steurer, S, Weiss-Puxbaum, A, Zoephel, A, Roy, M, Ciulli, A. | | Deposit date: | 2018-08-09 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
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6EFU
 | | Crystal structure of the double mutant L167W / P172L of the beta-glucosidase from Trichoderma harzianum | | Descriptor: | Beta-glucosidase, NITRATE ION | | Authors: | Morais, M.A.B, Santos, C.A, Tonoli, C.C.C, Souza, A.P, Murakami, M.T. | | Deposit date: | 2018-08-17 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An engineered GH1 beta-glucosidase displays enhanced glucose tolerance and increased sugar release from lignocellulosic materials.
Sci Rep, 9, 2019
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5H2O
 | | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 250 us after photoexcitation | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | | Deposit date: | 2016-10-15 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
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6S5H
 | | Structure of the human RAB38 in complex with GTP | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Diaz-Saez, L, Jung, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-07-01 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the human RAB38 in complex with GTP
To Be Published
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5WCV
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5JSY
 | | The 3D structure of the Ni-reconstituted U489C variant of [NiFeSe] hydrogenase from Desulfovibrio vulgaris Hildenborough at 1.04 Angstrom resolution | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | | Authors: | Marques, M.C, Pereira, I.A.C, Matias, P.M. | | Deposit date: | 2016-05-09 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | The direct role of selenocysteine in [NiFeSe] hydrogenase maturation and catalysis.
Nat. Chem. Biol., 13, 2017
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6RFI
 | | IRAK4 IN COMPLEX WITH inhibitor | | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate | | Authors: | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | | Deposit date: | 2019-04-15 | | Release date: | 2019-10-30 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma.
J.Med.Chem., 62, 2019
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7TV0
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