1DVH
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![BU of 1dvh by Molmil](/molmil-images/mine/1dvh) | STRUCTURE AND DYNAMICS OF FERROCYTOCHROME C553 FROM DESULFOVIBRIO VULGARIS STUDIED BY NMR SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS | Descriptor: | CYTOCHROME C553, HEME C | Authors: | Blackledge, M.J, Medvedeva, S, Poncin, M, Guerlesquin, F, Bruschi, M, Marion, D. | Deposit date: | 1995-02-24 | Release date: | 1995-06-03 | Last modified: | 2021-03-03 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of ferrocytochrome c553 from Desulfovibrio vulgaris studied by NMR spectroscopy and restrained molecular dynamics. J.Mol.Biol., 245, 1995
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2NMQ
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1K6W
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![BU of 1k6w by Molmil](/molmil-images/mine/1k6w) | The Structure of Escherichia coli Cytosine Deaminase | Descriptor: | Cytosine Deaminase, FE (III) ION | Authors: | Ireton, G.C, McDermott, G, Black, M.E, Stoddard, B.L. | Deposit date: | 2001-10-17 | Release date: | 2002-02-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structure of Escherichia coli cytosine deaminase. J.Mol.Biol., 315, 2002
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1K70
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![BU of 1k70 by Molmil](/molmil-images/mine/1k70) | The Structure of Escherichia coli Cytosine Deaminase bound to 4-Hydroxy-3,4-Dihydro-1H-Pyrimidin-2-one | Descriptor: | 4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE, Cytosine Deaminase, FE (III) ION | Authors: | Ireton, G.C, McDermott, G, Black, M.E, Stoddard, B.L. | Deposit date: | 2001-10-17 | Release date: | 2002-02-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure of Escherichia coli cytosine deaminase. J.Mol.Biol., 315, 2002
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6OQQ
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![BU of 6oqq by Molmil](/molmil-images/mine/6oqq) | Legionella pneumophila SidJ/Saccharomyces cerevisiae calmodulin complex | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ... | Authors: | Tomchick, D.R, Tagliabracci, V.S, Black, M, Osinski, A. | Deposit date: | 2019-04-28 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Bacterial pseudokinase catalyzes protein polyglutamylation to inhibit the SidE-family ubiquitin ligases. Science, 364, 2019
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7MIS
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![BU of 7mis by Molmil](/molmil-images/mine/7mis) | Cryo-EM structure of SidJ-SdeC-CaM reaction intermediate complex | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | Authors: | Osinski, A, Black, M.H, Pawlowski, K, Chen, Z, Li, Y, Tagliabracci, V.S. | Deposit date: | 2021-04-17 | Release date: | 2021-08-18 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural and mechanistic basis for protein glutamylation by the kinase fold. Mol.Cell, 81, 2021
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7MIR
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![BU of 7mir by Molmil](/molmil-images/mine/7mir) | Cryo-EM structure of SidJ-SdeA-CaM reaction intermediate complex | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | Authors: | Osinski, A, Black, M.H, Pawlowski, K, Chen, Z, Li, Y, Tagliabracci, V.S. | Deposit date: | 2021-04-17 | Release date: | 2021-08-18 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural and mechanistic basis for protein glutamylation by the kinase fold. Mol.Cell, 81, 2021
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1YSB
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![BU of 1ysb by Molmil](/molmil-images/mine/1ysb) | Yeast Cytosine Deaminase Triple Mutant | Descriptor: | CALCIUM ION, Cytosine deaminase, ZINC ION | Authors: | Korkegian, A, Black, M.E, Baker, D, Stoddard, B.L. | Deposit date: | 2005-02-08 | Release date: | 2005-05-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Computational thermostabilization of an enzyme. Science, 308, 2005
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1YSD
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![BU of 1ysd by Molmil](/molmil-images/mine/1ysd) | Yeast Cytosine Deaminase Double Mutant | Descriptor: | CALCIUM ION, Cytosine deaminase, ZINC ION | Authors: | Korkegian, A, Black, M.E, Baker, D, Stoddard, B.L. | Deposit date: | 2005-02-08 | Release date: | 2005-05-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computational thermostabilization of an enzyme. Science, 308, 2005
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1P6O
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![BU of 1p6o by Molmil](/molmil-images/mine/1p6o) | The crystal structure of yeast cytosine deaminase bound to 4(R)-hydroxyl-3,4-dihydropyrimidine at 1.14 angstroms. | Descriptor: | 4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE, ACETIC ACID, CALCIUM ION, ... | Authors: | Ireton, G.C, Black, M.E, Stoddard, B.L. | Deposit date: | 2003-04-29 | Release date: | 2003-08-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | The 1.14 a crystal structure of yeast Cytosine deaminase. Evolution of nucleotide salvage enzymes and implications for genetic chemotherapy. Structure, 11, 2003
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1OX7
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1R9Y
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![BU of 1r9y by Molmil](/molmil-images/mine/1r9y) | Bacterial cytosine deaminase D314A mutant. | Descriptor: | Cytosine deaminase, FE (III) ION, GLYCEROL, ... | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | Deposit date: | 2003-10-31 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy. Protein Eng.Des.Sel., 17, 2004
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1RAK
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![BU of 1rak by Molmil](/molmil-images/mine/1rak) | Bacterial cytosine deaminase D314S mutant bound to 5-fluoro-4-(S)-hydroxyl-3,4-dihydropyrimidine. | Descriptor: | (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE, Cytosine deaminase, FE (III) ION, ... | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | Deposit date: | 2003-10-31 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy. Protein Eng.Des.Sel., 17, 2004
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1R9Z
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![BU of 1r9z by Molmil](/molmil-images/mine/1r9z) | Bacterial cytosine deaminase D314S mutant. | Descriptor: | Cytosine deaminase, FE (III) ION, GLYCEROL, ... | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | Deposit date: | 2003-10-31 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy. Protein Eng.Des.Sel., 17, 2004
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1RA5
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![BU of 1ra5 by Molmil](/molmil-images/mine/1ra5) | Bacterial cytosine deaminase D314A mutant bound to 5-fluoro-4-(S)-hydroxyl-3,4-dihydropyrimidine. | Descriptor: | (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE, Cytosine deaminase, FE (III) ION, ... | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | Deposit date: | 2003-10-31 | Release date: | 2004-10-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy. Protein Eng.Des.Sel., 17, 2004
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1R9X
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![BU of 1r9x by Molmil](/molmil-images/mine/1r9x) | Bacterial cytosine deaminase D314G mutant. | Descriptor: | Cytosine deaminase, FE (III) ION, GLYCEROL, ... | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | Deposit date: | 2003-10-31 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy. Protein Eng.Des.Sel., 17, 2004
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1RA0
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![BU of 1ra0 by Molmil](/molmil-images/mine/1ra0) | Bacterial cytosine deaminase D314G mutant bound to 5-fluoro-4-(S)-hydroxy-3,4-dihydropyrimidine. | Descriptor: | (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE, Cytosine deaminase, FE (III) ION | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | Deposit date: | 2003-10-31 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy. Protein Eng.Des.Sel., 17, 2004
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4HBU
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![BU of 4hbu by Molmil](/molmil-images/mine/4hbu) | Crystal structure of CTX-M-15 extended-spectrum beta-lactamase in complex with avibactam (NXL104) | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Docquier, J.D, Benvenuti, M, Bruneau, J.M, Rossolini, G.M, Miossec, C, Black, M.T, Mangani, S. | Deposit date: | 2012-09-28 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural insight into potent broad-spectrum inhibition with reversible recyclization mechanism: avibactam in complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-lactamases Antimicrob.Agents Chemother., 57, 2013
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4HBT
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![BU of 4hbt by Molmil](/molmil-images/mine/4hbt) | Crystal structure of native CTX-M-15 extended-spectrum beta-lactamase | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Docquier, J.D, Benvenuti, M, Bruneau, J.M, Rossolini, G.M, Miossec, C, Black, M.T, Mangani, S. | Deposit date: | 2012-09-28 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural insight into potent broad-spectrum inhibition with reversible recyclization mechanism: avibactam in complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-lactamases Antimicrob.Agents Chemother., 57, 2013
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4LVN
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4LVO
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![BU of 4lvo by Molmil](/molmil-images/mine/4lvo) | |
8CLR
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![BU of 8clr by Molmil](/molmil-images/mine/8clr) | Integrated NMR/MD structure determination of a dynamic and thermodynamically stable CUUG RNA tetraloop | Descriptor: | RNA hairpin with CUUG tetraloop | Authors: | Oxenfarth, A, Kuemmerer, F, Bottaro, S, Schnieders, R, Pinter, G, Jonker, H.R.A, Fuertig, B, Richter, C, Blackledge, M, Lindorff-Larsen, K, Schwalbe, H. | Deposit date: | 2023-02-17 | Release date: | 2023-07-19 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Integrated NMR/Molecular Dynamics Determination of the Ensemble Conformation of a Thermodynamically Stable CUUG RNA Tetraloop. J.Am.Chem.Soc., 145, 2023
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1YKG
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![BU of 1ykg by Molmil](/molmil-images/mine/1ykg) | Solution structure of the flavodoxin-like domain from the Escherichia coli sulfite reductase | Descriptor: | FLAVIN MONONUCLEOTIDE, Sulfite reductase [NADPH] flavoprotein alpha-component | Authors: | Sibille, N, Blackledge, M, Brutscher, B, Coves, J, Bersch, B. | Deposit date: | 2005-01-18 | Release date: | 2005-07-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Sulfite Reductase Flavodoxin-like Domain from Escherichia coli Biochemistry, 44, 2005
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4UX9
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![BU of 4ux9 by Molmil](/molmil-images/mine/4ux9) | Crystal structure of JNK1 bound to a MKK7 docking motif | Descriptor: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7, MITOGEN-ACTIVATED PROTEIN KINASE 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Kragelj, J, Palencia, A, Nanao, M.H, Maurin, D, Bouvignies, G, Blackledge, M, Ringkjobing-Jensen, M. | Deposit date: | 2014-08-20 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure and Dynamics of the Mkk7-Jnk Signaling Complex. Proc.Natl.Acad.Sci.USA, 112, 2015
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7PKU
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![BU of 7pku by Molmil](/molmil-images/mine/7pku) | Structure of SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a | Descriptor: | 3C-like proteinase, Nucleoprotein | Authors: | Bessa, L.M, Guseva, S, Camacho-Zarco, A.R, Salvi, N, Blackledge, M. | Deposit date: | 2021-08-26 | Release date: | 2022-01-19 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The intrinsically disordered SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a. Sci Adv, 8, 2022
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