2B5H
 
 | | 1.5 A Resolution Crystal Structure of Recombinant R. Norvegicus Cysteine Dioxygenase | | Descriptor: | Cysteine dioxygenase type I, FE (III) ION | | Authors: | Simmons, C.R, Liu, Q, Huang, Q, Hao, Q, Begley, T.P, Karplus, P.A, Stipanuk, M.H. | | Deposit date: | 2005-09-28 | | Release date: | 2006-04-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Mammalian Cysteine Dioxygenase: A NOVEL MONONUCLEAR IRON CENTER FOR CYSTEINE THIOL OXIDATION.
J.Biol.Chem., 281, 2006
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6N3F
 | | Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to SF3b1 ULM5 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HIV Tat-specific factor 1, ... | | Authors: | Leach, J.R, Jenkins, J.L, Kielkopf, C.L. | | Deposit date: | 2018-11-15 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
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6N41
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7BJT
 | | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT | | Descriptor: | Alginate lyase, family PL17, CALCIUM ION, ... | | Authors: | Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT.
Glycobiology, 31, 2021
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7BM6
 | | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT | | Descriptor: | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid, Alginate lyase, family PL17, ... | | Authors: | Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A. | | Deposit date: | 2021-01-19 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT.
Glycobiology, 31, 2021
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2H7Y
 | | Pikromycin Thioesterase with covalent affinity label | | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Giraldes, J.W, Akey, D.L, Kittendorf, J.D, Sherman, D.H, Smith, J.S, Fecik, R.A. | | Deposit date: | 2006-06-06 | | Release date: | 2006-09-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Mechanistic Insights of Polyketide Macrolactonization from Polyketide-based Affinity Labels
NAT.CHEM.BIOL., 2, 2006
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2AGO
 | | Fidelity of Dpo4: effect of metal ions, nucleotide selection and pyrophosphorolysis | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*G)-3'), DNA (5'-D(*TP*TP*TP*TP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | | Authors: | Ling, H, Yang, W. | | Deposit date: | 2005-07-27 | | Release date: | 2005-09-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Fidelity of Dpo4: effect of metal ions, nucleotide selection and pyrophosphorolysis.
Embo J., 24, 2005
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2GLM
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori complexed with Compound 2 | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 2-CHLORO-5-(5-{(E)-[(2Z)-3-(2-METHOXYETHYL)-4-OXO-2-(PHENYLIMINO)-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-2-FURYL)BENZOIC ACID, BENZAMIDINE, ... | | Authors: | Zhang, L, Liu, W, Shen, X, Jiang, H. | | Deposit date: | 2006-04-05 | | Release date: | 2007-03-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
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6N9F
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with a short substrate mimic ACCA-DPhe and bound to mRNA and P-site tRNA at 3.7A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S19, ... | | Authors: | Melnikov, S.V, Khabibullina, N.F, Mairhofer, E, Vargas-Rodriguez, O, Reynolds, N.M, Micura, R, Soll, D, Polikanov, Y.S. | | Deposit date: | 2018-12-03 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Mechanistic insights into the slow peptide bond formation with D-amino acids in the ribosomal active site.
Nucleic Acids Res., 47, 2019
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2AGW
 | | Crystal structure of tryptamine-reduced aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis in complex with tryptamine | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, Aromatic amine dehydrogenase | | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | | Deposit date: | 2005-07-27 | | Release date: | 2006-04-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
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2AH6
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2AH0
 | | Crystal structure of the carbinolamine intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. Monoclinic form | | Descriptor: | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL, 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase | | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | | Deposit date: | 2005-07-27 | | Release date: | 2006-04-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
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6N3E
 | | Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to U2AF ligand motif 4 | | Descriptor: | FORMIC ACID, GLYCEROL, HIV Tat-specific factor 1, ... | | Authors: | Loerch, S, Jenkins, J.L, Kielkopf, C.L. | | Deposit date: | 2018-11-15 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
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2AI7
 | | S.pneumoniae Polypeptide Deformylase complexed with SB-485345 | | Descriptor: | NICKEL (II) ION, Peptide deformylase, SULFATE ION, ... | | Authors: | Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B. | | Deposit date: | 2005-07-29 | | Release date: | 2005-09-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species
Protein Sci., 12, 2003
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2AK4
 | | Crystal Structure of SB27 TCR in complex with HLA-B*3508-13mer peptide | | Descriptor: | Beta-2-microglobulin, EBV peptide LPEPLPQGQLTAY, HLA-B35 variant, ... | | Authors: | Tynan, F.E, Burrows, S.R, Buckle, A.M, Clements, C.S, Borg, N.A, Miles, J.J, Beddoe, T, Whisstock, J.C, Wilce, M.C, Silins, S.L, Burrows, J.M, Kjer-Nielsen, L, Konstenko, L, Purcell, A.W, McCluskey, J, Rossjohn, J. | | Deposit date: | 2005-08-03 | | Release date: | 2005-10-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | T cell receptor recognition of a 'super-bulged' major histocompatibility complex class I-bound peptide
Nat.Immunol., 6, 2005
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2H7V
 | | Co-crystal structure of YpkA-Rac1 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Migration-inducing protein 5, ... | | Authors: | Prehna, G, Ivanov, M, Bliska, J.B, Stebbins, C.E. | | Deposit date: | 2006-06-04 | | Release date: | 2006-09-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Yersinia virulence depends on mimicry of host rho-family nucleotide dissociation inhibitors.
Cell(Cambridge,Mass.), 126, 2006
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2HFE
 | | Rb+ complex of a K channel with an amide to ester substitution in the selectivity filter | | Descriptor: | (2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE, FAB Heavy Chain, FAB Light Chain, ... | | Authors: | Valiyaveetil, F.I, MacKinnon, R, Muir, T.W. | | Deposit date: | 2006-06-23 | | Release date: | 2006-09-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and Functional Consequences of an Amide-to-Ester Substitution in the Selectivity Filter of a Potassium Channel.
J.Am.Chem.Soc., 128, 2006
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6YSX
 | | Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... | | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | | Deposit date: | 2020-04-23 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80)
To be published
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2HCB
 | | Structure of AMPPCP-bound DnaA from Aquifex aeolicus | | Descriptor: | Chromosomal replication initiator protein dnaA, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Erzberger, J.P, Mott, M.L, Berger, J.M. | | Deposit date: | 2006-06-15 | | Release date: | 2006-07-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | Structural basis for ATP-dependent DnaA assembly and replication-origin remodeling.
Nat.Struct.Mol.Biol., 13, 2006
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2AQV
 | | Crystal Structure of E. coli Isoaspartyl Dipeptidase mutant Y137F | | Descriptor: | Isoaspartyl dipeptidase, ZINC ION | | Authors: | Marti-Arbona, R, Thoden, J.B, Holden, H.M, Raushel, F.M. | | Deposit date: | 2005-08-18 | | Release date: | 2005-12-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Functional significance of Glu-77 and Tyr-137 within the active site of isoaspartyl dipeptidase.
Bioorg.Chem., 33, 2005
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2HDQ
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6YSJ
 | | Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-1-(4-bromophenyl)ethanone, DIMETHYL SULFOXIDE, ... | | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N, Paulus, A. | | Deposit date: | 2020-04-22 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10)
To be published
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2B37
 | | Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by 5-octyl-2-phenoxyphenol | | Descriptor: | 5-OCTYL-2-PHENOXYPHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | | Deposit date: | 2005-09-19 | | Release date: | 2006-03-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis
ACS Chem.Biol., 1, 2006
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7BEE
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2B50
 | | Human Nuclear Receptor-Ligand Complex 2 | | Descriptor: | CALCIUM ION, Peroxisome proliferator activated receptor delta, VACCENIC ACID, ... | | Authors: | Fyffe, S.A, Alphey, M.S, Buetow, L, Smith, T.K, Ferguson, M.A.J, Sorensen, M.D, Bjorkling, F, Hunter, W.N. | | Deposit date: | 2005-09-27 | | Release date: | 2006-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Recombinant Human PPAR-beta/delta Ligand-binding Domain is Locked in an Activated Conformation by Endogenous Fatty Acids
J.Mol.Biol., 356, 2006
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