4MDF
 
 | | Structure of bacterial polynucleotide kinase Michaelis complex bound to GTP and DNA | | Descriptor: | CITRIC ACID, DNA (5'-D(*CP*CP*TP*GP*T)-3'), GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Shuman, S, Das, U, Wang, L.K, Smith, P, Jacewicz, A. | | Deposit date: | 2013-08-22 | | Release date: | 2013-11-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.727 Å) | | Cite: | Structures of bacterial polynucleotide kinase in a Michaelis complex with GTP*Mg2+ and 5'-OH oligonucleotide and a product complex with GDP*Mg2+ and 5'-PO4 oligonucleotide reveal a mechanism of general acid-base catalysis and the determinants of phosphoacceptor recognition.
Nucleic Acids Res., 42, 2014
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6F82
 | | AKR1B1 at 1.65 MGy radiation dose. | | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Castellvi, A, Juanhuix, J. | | Deposit date: | 2017-12-12 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
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4LS5
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4LOA
 | | X-ray structure of the de-novo design amidase at the resolution 1.8A, Northeast Structural Genomics Consortium (NESG) Target OR398 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, De-novo design amidase | | Authors: | Kuzin, A, Lew, S, Vorobiev, S.M, Seetharaman, J, Sahdev, S, Xiao, R, Maglaqui, M, Kogan, S, Khersonsky, O, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-07-12 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.819 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR398
To be Published
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6F7R
 | | AKR1B1 at 0.03 MGy radiation dose. | | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Castellvi, A, Juanhuix, J. | | Deposit date: | 2017-12-11 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
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4LUN
 | | Structure of the N-terminal mIF4G domain from S. cerevisiae Upf2, a protein involved in the degradation of mRNAs containing premature stop codons | | Descriptor: | CHLORIDE ION, Nonsense-mediated mRNA decay protein 2 | | Authors: | Fourati, Z, Roy, B, Millan, C, Courreux, P.D, Kervestin, S, van Tilbeurgh, H, He, F, Uson, I, Jacobson, A, Graille, M. | | Deposit date: | 2013-07-25 | | Release date: | 2014-07-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.641 Å) | | Cite: | A highly conserved region essential for NMD in the Upf2 N-terminal domain.
J.Mol.Biol., 426, 2014
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4LUD
 | | Crystal Structure of HCK in complex with the fluorescent compound SKF86002 | | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-25 | | Release date: | 2014-02-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
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6FA1
 | | Antibody derived (Abd-4) small molecule binding to KRAS. | | Descriptor: | 2-[4-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | | Deposit date: | 2017-12-15 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
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6FJT
 | | 4-chloro-benzamidine in complex with thrombin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-chloranylbenzenecarboximidamide, DIMETHYL SULFOXIDE, ... | | Authors: | Abazi, N, Heine, A, Klebe, G. | | Deposit date: | 2018-01-23 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | 4-chloro-benzamidine in complex with thrombin
To be published
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4LZH
 | | L,D-transpeptidase from Klebsiella pneumoniae | | Descriptor: | L,D-transpeptidase | | Authors: | Osipiuk, J, Hatzos-Skintges, C, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-07-31 | | Release date: | 2013-08-21 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | L,D-transpeptidase from Klebsiella pneumoniae.
To be Published
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4M0M
 | | The crystal structure of a functionally unknown protein lpg2422 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 | | Descriptor: | PHOSPHATE ION, Putative uncharacterized protein, TETRAETHYLENE GLYCOL | | Authors: | Tan, K, Li, H, Clancy, S, Shuman, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-08-01 | | Release date: | 2013-08-21 | | Method: | X-RAY DIFFRACTION (2.192 Å) | | Cite: | The crystal structure of a functionally unknown protein lpg2422 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
To be Published
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4M5T
 | | Disulfide trapped human alphaB crystallin core domain in complex with C-terminal peptide | | Descriptor: | Alpha-crystallin B chain, SULFATE ION | | Authors: | Laganowsky, A, Cascio, D, Hochberg, G, Sawaya, M.R, Benesch, J.L.P, Robinson, C.V, Eisenberg, D. | | Deposit date: | 2013-08-08 | | Release date: | 2014-04-09 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6FLA
 | | 3H5 Fab bound to EDIII of DenV 2 Xtal form 1 | | Descriptor: | CHLORIDE ION, Domain III of Dengue virus 2, GLYCEROL, ... | | Authors: | Flanagan, A, Renner, M, Grimes, J.M. | | Deposit date: | 2018-01-25 | | Release date: | 2018-10-24 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Characterization of a potent and highly unusual minimally enhancing antibody directed against dengue virus.
Nat. Immunol., 19, 2018
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4M65
 | | In situ thermolysin crystallized on a MiTeGen micromesh with asparagine ligand | | Descriptor: | 1,2-ETHANEDIOL, ASPARAGINE, CALCIUM ION, ... | | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | | Deposit date: | 2013-08-08 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Hitting the target: fragment screening with acoustic in situ
co-crystallization of proteins plus fragment libraries on
pin-mounted data-collection micromeshes
Acta Crystallogr.,Sect.D, D70
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4M6M
 | | Crystal structure of anti-IL-23 antibody CNTO1959 at pH 9.5 | | Descriptor: | CNTO1959 heavy chain, CNTO1959 light chain, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Teplyakov, A, Obmolova, G, Gilliland, G.L. | | Deposit date: | 2013-08-09 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Antibody modeling assessment II. Structures and models.
Proteins, 82, 2014
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4MAA
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6FCE
 | | NMR ensemble of Macrocyclic Peptidomimetic Containing Constrained a,a-dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors | | Descriptor: | ACP-HIS-DPHE-ARG-TRP-ASP-NH2 | | Authors: | Brancaccio, D, Carotenuto, A, Grieco, P, Merlino, F, Zhou, Y, Cai, M, Yousif, A.M, Di Maro, S, Novellino, E, Hruby, V.J. | | Deposit date: | 2017-12-20 | | Release date: | 2018-04-25 | | Last modified: | 2018-05-23 | | Method: | SOLUTION NMR | | Cite: | Development of Macrocyclic Peptidomimetics Containing Constrained alpha , alpha-Dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors.
J. Med. Chem., 61, 2018
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4MF5
 | | Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with traces of one GSH bound | | Descriptor: | FORMIC ACID, GLUTATHIONE, Glutathione S-transferase domain | | Authors: | Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-08-27 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with traces of one GSH bound
To be Published
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6FES
 | | Crystal structure of novel repeat protein BRIC2 fused to DARPin D12 | | Descriptor: | 1,2-ETHANEDIOL, D12_BRIC2, a synthetic protein,D12_BRIC2, ... | | Authors: | ElGamacy, M, Coles, M, Ernst, P, Zhu, H, Hartmann, M.D, Plueckthun, A, Lupas, A. | | Deposit date: | 2018-01-03 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | An Interface-Driven Design Strategy Yields a Novel, Corrugated Protein Architecture.
ACS Synth Biol, 7, 2018
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4MHB
 | | Structure of a putative reductase from Yersinia pestis | | Descriptor: | Putative aldo/keto reductase, SULFATE ION | | Authors: | Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Rembert, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-29 | | Release date: | 2013-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of a putative reductase from Yersinia pestis
To be Published
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4MGN
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4MHW
 | | Crystal structure of ThiT with small molecule BAT-25 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol, ... | | Authors: | Swier, L.J.Y.M, Guskov, A, Slotboom, D.J. | | Deposit date: | 2013-08-30 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of ThiT with small molecules modulators
To be Published
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4MHV
 | | Crystal structure of the PNT domain of human ETS2 | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Newman, J.A, Cooper, C.D.O, Krojer, T, Shrestha, L, Burgess-brown, N, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O. | | Deposit date: | 2013-08-30 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of the PNT domain of human ETS2
To be Published
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4MI1
 | | Crystal structure of the double mutant (S112A, H303A) of B.anthracis mycrocine immunity protein (MccF) with aspartyl sulfamoyl adenylates | | Descriptor: | 5'-O-(L-alpha-aspartylsulfamoyl)adenosine, Microcin immunity protein MccF, SULFATE ION | | Authors: | Nocek, B, Severinov, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-30 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of the double mutant (S112A, H303A) of B.anthracis mycrocine immunity protein (MccF) with aspartyl sulfamoyl adenylates
TO BE PUBLISHED
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6FH2
 | | Protein arginine kinase McsB in the AMP-PN-bound state | | Descriptor: | 1,2-ETHANEDIOL, AMP PHOSPHORAMIDATE, Protein-arginine kinase | | Authors: | Suskiewicz, M.J, Heuck, A, Vu, L.D, Clausen, T. | | Deposit date: | 2018-01-12 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of McsB, a protein kinase for regulated arginine phosphorylation.
Nat.Chem.Biol., 15, 2019
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