4LRR
 
 | | Ternary complex between E. coli thymidylate synthase, dUMP, and F9 | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate, SULFATE ION, ... | | Authors: | Mangani, S, Pozzi, C, Ferrari, S, Costi, M.P. | | Deposit date: | 2013-07-20 | | Release date: | 2013-11-06 | | Last modified: | 2013-12-11 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | 2'-Deoxyuridine 5'-Monophosphate Substrate Displacement in Thymidylate Synthase through 6-Hydroxy-2H-naphtho[1,8-bc]furan-2-one Derivatives.
J.Med.Chem., 56, 2013
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2F9U
 | | HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane | | Descriptor: | 1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE, NS3 protease/helicase', ZINC ION, ... | | Authors: | Venkatraman, S, Njoroge, F.G, Wu, W, Girijavallabhan, V, Prongay, A.J, Butkiewicz, N, Pichardo, J. | | Deposit date: | 2005-12-06 | | Release date: | 2006-06-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel Inhibitors of Hepatitis C NS3-NS4A Serine Protease Derived from 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid.
Bioorg.Med.Chem.Lett., 16, 2006
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4WMC
 | | OXA-48 covalent complex with Avibactam inhibitor | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE | | Authors: | Mangani, S, Benvenuti, M, Docquier, J.D. | | Deposit date: | 2014-10-08 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
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4WM9
 | | Acinetobacter baumanii OXA-24 complex with Avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | | Authors: | Mangani, S, Benvenuti, M, Docquier, J.-D. | | Deposit date: | 2014-10-08 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
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4Y85
 | | Crystal structure of COT kinase domain in complex with 5-(5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine | | Descriptor: | 5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine, Mitogen-activated protein kinase kinase kinase 8 | | Authors: | Gutmann, S, Hinniger, A. | | Deposit date: | 2015-02-16 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
J.Biol.Chem., 290, 2015
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4XKK
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2I68
 | | Cryo-EM based theoretical model structure of transmembrane domain of the multidrug-resistance antiporter from E. coli EmrE | | Descriptor: | Protein emrE | | Authors: | Fleishman, S.J, Harrington, S.E, Enosh, A, Halperin, D, Tate, C.G, Ben-Tal, N. | | Deposit date: | 2006-08-28 | | Release date: | 2006-10-03 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (7.5 Å) | | Cite: | Quasi-symmetry in the Cryo-EM Structure of EmrE Provides the Key to Modeling its Transmembrane Domain
J.Mol.Biol., 364, 2006
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3QQD
 | | Human SOD1 H80R variant, P212121 crystal form | | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Seetharaman, S.V, Winkler, D.D, Taylor, A.B, Cao, X, Whitson, L.J, Doucette, P.A, Valentine, J.S, Schirf, V, Demeler, B, Carroll, M.C, Culotta, V.C, Hart, P.J. | | Deposit date: | 2011-02-15 | | Release date: | 2011-03-09 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Disrupted zinc-binding sites in structures of pathogenic SOD1 variants D124V and H80R.
Biochemistry, 49, 2010
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4Y83
 | | Crystal structure of COT kinase domain in complex with 5-(2-amino-5-(quinolin-3-yl)pyridin-3-yl)-1,3,4-oxadiazole-2(3H)-thione | | Descriptor: | 5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3H)-thione, Mitogen-activated protein kinase kinase kinase 8 | | Authors: | Gutmann, S, Hinniger, A. | | Deposit date: | 2015-02-16 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
J.Biol.Chem., 290, 2015
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6WJL
 | | Crystal structure of Glypican-2 core protein in complex with D3 Fab | | Descriptor: | D3 Fab Heavy chain, D3 Fab Light Chain, Glypican-2, ... | | Authors: | Raman, S, Maris, J.M, Bosse, K.R, Julien, J.P. | | Deposit date: | 2020-04-14 | | Release date: | 2021-04-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A GPC2 antibody-drug conjugate is efficacious against neuroblastoma and small-cell lung cancer via binding a conformational epitope.
Cell Rep Med, 2, 2021
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4ZJJ
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4ZJI
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3MK7
 | | The structure of CBB3 cytochrome oxidase | | Descriptor: | 30-mer peptide, CALCIUM ION, COPPER (II) ION, ... | | Authors: | Buschmann, S, Warkentin, E, Michel, H, Ermler, U. | | Deposit date: | 2010-04-14 | | Release date: | 2010-08-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Structure of cbb3 Cytochrome Oxidase Provides Insights into Proton Pumping
Science, 329, 2010
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3NCQ
 | | GlnK2 from Archaeoglobus fulgidus, ATP complex | | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A. | | Deposit date: | 2010-06-05 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus.
J.Mol.Biol., 402, 2010
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1Z3C
 | | Encephalitozooan cuniculi mRNA Cap (Guanine-N7) Methyltransferasein complexed with AzoAdoMet | | Descriptor: | S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE, mRNA CAPPING ENZYME | | Authors: | Hausmann, S, Zhang, S, Fabrega, C, Schneller, S.W, Lima, C.D, Shuman, S. | | Deposit date: | 2005-03-11 | | Release date: | 2005-03-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Encephalitozoon cuniculi mRNA cap (guanine N-7) methyltransferase: methyl acceptor specificity, inhibition BY S-adenosylmethionine analogs, and structure-guided mutational analysis.
J.Biol.Chem., 280, 2005
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3NCP
 | | GlnK2 from Archaeoglobus fulgidus | | Descriptor: | CHLORIDE ION, Nitrogen regulatory protein P-II (GlnB-2) | | Authors: | Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A. | | Deposit date: | 2010-06-05 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus.
J.Mol.Biol., 402, 2010
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3LTV
 | | Mouse-human sod1 chimera | | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Seetharaman, S.V, Taylor, A.B, Hart, P.J. | | Deposit date: | 2010-02-16 | | Release date: | 2010-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.453 Å) | | Cite: | Structures of mouse SOD1 and human/mouse SOD1 chimeras.
Arch.Biochem.Biophys., 503, 2010
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2LBM
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1ZUG
 | | STRUCTURE OF PHAGE 434 CRO PROTEIN, NMR, 20 STRUCTURES | | Descriptor: | PHAGE 434 CRO PROTEIN | | Authors: | Padmanabhan, S, Jimenez, M.A, Gonzalez, C, Sanz, J.M, Gimenez-Gallego, G, Rico, M. | | Deposit date: | 1997-03-14 | | Release date: | 1997-07-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure and stability of phage 434 Cro protein.
Biochemistry, 36, 1997
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3KGD
 | | Crystal structure of E. coli RNA 3' cyclase | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, RNA 3'-terminal phosphate cyclase, ... | | Authors: | Shuman, S, Tanaka, N, Smith, P. | | Deposit date: | 2009-10-28 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure of the RNA 3'-phosphate cyclase-adenylate intermediate illuminates nucleotide specificity and covalent nucleotidyl transfer.
Structure, 18, 2010
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3NCR
 | | GlnK2 from Archaeoglubus fulgidus, ADP complex | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A. | | Deposit date: | 2010-06-05 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus.
J.Mol.Biol., 402, 2010
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4WCD
 | | Trypanosoma brucei PTR1 in complex with inhibitor 10 | | Descriptor: | 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ACETATE ION, GLYCEROL, ... | | Authors: | Mangani, S, Di Pisa, F, Pozzi, C. | | Deposit date: | 2014-09-04 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
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2OWO
 | | Last Stop on the Road to Repair: Structure of E.coli DNA Ligase Bound to Nicked DNA-Adenylate | | Descriptor: | 26-MER, 5'-D(*AP*CP*AP*AP*TP*TP*GP*CP*GP*AP*CP*(OMC)P*C)-3', 5'-D(*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*G)-3', ... | | Authors: | Shuman, S, Nandakumar, J, Nair, P.A. | | Deposit date: | 2007-02-16 | | Release date: | 2007-05-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Last Stop on the Road to Repair: Structure of E. coli DNA Ligase Bound to Nicked DNA-Adenylate.
Mol.Cell, 26, 2007
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2PLQ
 | | Crystal structure of the amidase from geobacillus pallidus RAPc8 | | Descriptor: | Aliphatic amidase | | Authors: | Kimani, S.W, Sewell, B.T, Agarkar, V.B, Sayed, M.F, Cowan, D.A. | | Deposit date: | 2007-04-20 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The quaternary structure of the amidase from Geobacillus pallidus RAPc8 is
revealed by its crystal packing.
Acta Crystallogr.,Sect.F, 62, 2006
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2M76
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