1K5E
 
 | | Solution Structure of R-styrene Adduct in the Ras61 Sequence | | Descriptor: | 5'-D(*CP*GP*GP*AP*CP*(ABR)P*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3' | | Authors: | Hennard, C, Finneman, J, Harris, C.M, Harris, T.M, Stone, M.P. | | Deposit date: | 2001-10-10 | | Release date: | 2002-01-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The nonmutagenic (R)- and (S)-beta-(N(6)-adenyl)styrene oxide adducts are oriented in the major groove and show little perturbation to DNA
structure.
Biochemistry, 40, 2001
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7BNH
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2NUU
 | | Regulating the Escherichia coli ammonia channel: the crystal structure of the AmtB-GlnK complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ammonia channel, Nitrogen regulatory protein P-II 2 | | Authors: | Conroy, M.J, Durand, A, Lupo, D, Li, X.-D, Bullough, P.A, Winkler, F.K, Merrick, M. | | Deposit date: | 2006-11-09 | | Release date: | 2006-11-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of the Escherichia coli AmtB-GlnK complex reveals how GlnK regulates the ammonia channel
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2C6Q
 | | Crystal structure of human guanosine monophosphate reductase 2 GMPR2 in complex with IMP and NADPH | | Descriptor: | GMP REDUCTASE 2, INOSINIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Kursula, P, Stenmark, P, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Graslund, S, Hammarstrom, M, Hallberg, B.M, Kotenyova, T, Nilsson-Ehle, P, Ogg, D, Persson, C, Sagemark, J, Schuler, H, Sundstrom, M, Thorsell, A, Weigelt, J, Nordlund, P. | | Deposit date: | 2005-11-11 | | Release date: | 2005-11-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cofactor Mobility Determines Reaction Outcome in the Impdh and Gmpr (Beta-Alpha)(8) Barrel Enzymes.
Nat.Chem.Biol., 7, 2011
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6TD1
 | | Crystal structure of VNRX-5133 (taniborbactam) bound to KPC-2 | | Descriptor: | (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2019-11-07 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Rsc Med Chem, 11, 2020
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6GAR
 | | Crystal structure of oxidised ferredoxin/flavodoxin NADP+ oxidoreductase 1 (FNR1) from Bacillus cereus | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ... | | Authors: | Skramo, S, Gudim, I, Hersleth, H.-P. | | Deposit date: | 2018-04-12 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Characterization of Different Flavodoxin Reductase-Flavodoxin (FNR-Fld) Interactions Reveals an Efficient FNR-Fld Redox Pair and Identifies a Novel FNR Subclass.
Biochemistry, 57, 2018
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7LJL
 | | Structure of the Enterobacter cloacae CD-NTase CdnD in complex with ATP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-AMP-GMP synthase, ... | | Authors: | Govande, A, Lowey, B, Eaglesham, J.B, Whiteley, A.W, Kranzusch, P.J. | | Deposit date: | 2021-01-29 | | Release date: | 2021-06-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Molecular basis of CD-NTase nucleotide selection in CBASS anti-phage defense.
Cell Rep, 35, 2021
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2NWR
 | | Crystal structure of C11N mutant of KDO8P Synthase in complex with PEP | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, PHOSPHATE ION, PHOSPHOENOLPYRUVATE | | Authors: | Kona, F, Xu, X, Martin, P, Kuzmic, P, Gatti, D.L. | | Deposit date: | 2006-11-16 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Mechanistic Changes along an Engineered Path from Metallo to Nonmetallo 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthases.
Biochemistry, 46, 2007
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2O8C
 | | human MutSalpha (MSH2/MSH6) bound to ADP and an O6-methyl-guanine T mispair | | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*(6OG)P*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | | Deposit date: | 2006-12-12 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
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6ZVN
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6C72
 | | Crystal structure of a tailspike protein gp49 from Acinetobacter baumannii bacteriophage Fri1, a capsular polysaccharide depolymerase | | Descriptor: | Particle-associated glycoside hydrolase, ZINC ION | | Authors: | Buth, S.A, Garcon, A, Popova, A.V, Shneider, M.M, Leiman, P.G. | | Deposit date: | 2018-01-19 | | Release date: | 2019-01-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.396 Å) | | Cite: | Exopolysaccharide degrading enzymes - specificity determinants of Acinetobacter baumannii phages
To Be Published
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7LJN
 | | Structure of the Bradyrhizobium diazoefficiens CD-NTase CdnG in complex with GTP | | Descriptor: | CD-NTase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | Authors: | Govande, A, Lowey, B, Eaglesham, J.B, Whiteley, A.T, Kranzusch, P.J. | | Deposit date: | 2021-01-29 | | Release date: | 2021-06-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis of CD-NTase nucleotide selection in CBASS anti-phage defense.
Cell Rep, 35, 2021
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6ZYP
 | | Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b | | Descriptor: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-08-02 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
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2C7N
 | | Human Rabex-5 residues 1-74 in complex with Ubiquitin | | Descriptor: | RAB GUANINE NUCLEOTIDE EXCHANGE FACTOR 1, UBIQUITIN, ZINC ION | | Authors: | Penengo, L, Mapelli, M, Murachelli, A.G, Confalioneri, S, Magri, L, Musacchio, A, Di Fiore, P.P, Polo, S, Schneider, T.R. | | Deposit date: | 2005-11-25 | | Release date: | 2006-02-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Ubiquitin Binding Domains of Rabex-5 Reveals Two Modes of Interaction with Ubiquitin.
Cell(Cambridge,Mass.), 124, 2006
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3PY4
 | | Crystal structure of bovine lactoperoxidase in complex with paracetamol at 2.4A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pandey, N, Sing, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2010-12-11 | | Release date: | 2011-01-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Crystal structure of bovine lactoperoxidase in complex with paracetamol at 2.4A resolution
To be published
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6TGD
 | | Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31 | | Descriptor: | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione, CALCIUM ION, Metallo-beta-lactamase NDM-1, ... | | Authors: | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | | Deposit date: | 2019-11-15 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.
Sci Rep, 10, 2020
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7LQF
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1NOI
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7LQH
 | | Cryo-EM of KFE8 thinner nanotube (class 2, 2-sub-1) | | Descriptor: | KFE8 peptide | | Authors: | Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P. | | Deposit date: | 2021-02-13 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Deterministic chaos in the self-assembly of beta sheet nanotubes from an amphipathic oligopeptide.
Matter, 4, 2021
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7F84
 | | Crystal structure of CRISPR-associated Cas2c of Leptospira interrogans | | Descriptor: | CRISPR-associated endoribonuclease Cas2, GLYCEROL | | Authors: | Gogoi, P, Anand, V, Prabhakaran, H.S, Kumar, M, Kanaujia, S.P. | | Deposit date: | 2021-07-01 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and functional characterization of Cas2 of CRISPR-Cas subtype I-C lacking the CRISPR component.
Front Mol Biosci, 9, 2022
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7LQG
 | | Cryo-EM of the KFE8 thinner nanotube (class 1, C2) | | Descriptor: | KFE8 peptide | | Authors: | Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P. | | Deposit date: | 2021-02-13 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Deterministic chaos in the self-assembly of beta sheet nanotubes from an amphipathic oligopeptide.
Matter, 4, 2021
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3KM2
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7LQE
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6ZYQ
 | | Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b | | Descriptor: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-08-02 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
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5TQ6
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