6X94
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![BU of 6x94 by Molmil](/molmil-images/mine/6x94) | An orthogonal seryl-tRNA synthetase/tRNA pair for noncanonical amino acid mutagenesis in Escherichia coli | Descriptor: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zambaldo, C, Koh, M, Nasertorabi, F, Han, G.W, Chatterjee, A, Stevens, R.C, Schultz, P.G. | Deposit date: | 2020-06-02 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | An orthogonal seryl-tRNA synthetase/tRNA pair for noncanonical amino acid mutagenesis in Escherichia coli. Bioorg.Med.Chem., 28, 2020
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4D4G
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![BU of 4d4g by Molmil](/molmil-images/mine/4d4g) | Understanding bi-specificity of A-domains | Descriptor: | APNAA1, GLYCEROL, MAGNESIUM ION, ... | Authors: | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | Deposit date: | 2014-10-29 | Release date: | 2015-07-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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4D4H
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![BU of 4d4h by Molmil](/molmil-images/mine/4d4h) | Understanding bi-specificity of A-domains | Descriptor: | APNAA1, GLYCEROL | Authors: | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | Deposit date: | 2014-10-29 | Release date: | 2015-07-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.019 Å) | Cite: | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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4D4I
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![BU of 4d4i by Molmil](/molmil-images/mine/4d4i) | Understanding bi-specificity of A-domains | Descriptor: | APNAA1, ARGININE, GLYCEROL, ... | Authors: | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | Deposit date: | 2014-10-29 | Release date: | 2015-07-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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1R7R
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![BU of 1r7r by Molmil](/molmil-images/mine/1r7r) | The crystal structure of murine p97/VCP at 3.6A | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Huyton, T, Pye, V.E, Briggs, L.C, Flynn, T.C, Beuron, F, Kondo, H, Ma, J, Zhang, X, Freemont, P.S. | Deposit date: | 2003-10-22 | Release date: | 2003-12-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The crystal structure of murine p97/VCP at 3.6A J.Struct.Biol., 144, 2003
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4CVK
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![BU of 4cvk by Molmil](/molmil-images/mine/4cvk) | PaMurF in complex with UDP-MurNAc-tripeptide (mDAP) | Descriptor: | ALA-FGA-API, N-acetyl-alpha-muramic acid, UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase, ... | Authors: | Ruane, K.M, Majce, V. | Deposit date: | 2014-03-28 | Release date: | 2015-04-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Pamurf in Complex with Udp-Murnac-Tripeptide (Mdap) To be Published
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5TT6
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![BU of 5tt6 by Molmil](/molmil-images/mine/5tt6) | T4 RNA Ligase 1 (K99M) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, T4 RNA ligase 1 | Authors: | Goldgur, Y, Unciuleac, M.-C, Shuman, S.H. | Deposit date: | 2016-11-01 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.187 Å) | Cite: | Two-metal versus one-metal mechanisms of lysine adenylylation by ATP-dependent and NAD(+)-dependent polynucleotide ligases. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6SKU
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![BU of 6sku by Molmil](/molmil-images/mine/6sku) | Legionella effector AnkX in complex with human Rab1b | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphocholine transferase AnkX, ... | Authors: | Ernst, S, Ecker, F, Kaspers, M, Ochtrop, P, Hedberg, C, Groll, M, Itzen, A. | Deposit date: | 2019-08-16 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Legionellaeffector AnkX displaces the switch II region for Rab1b phosphocholination. Sci Adv, 6, 2020
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4C5K
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![BU of 4c5k by Molmil](/molmil-images/mine/4c5k) | Structure of the pyridoxal kinase from Staphylococcus aureus in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PHOSPHOMETHYLPYRIMIDINE KINASE, SULFATE ION | Authors: | Nodwell, M, Alte, F, Sieber, S.A, Schneider, S. | Deposit date: | 2013-09-12 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage. J.Am.Chem.Soc., 136, 2014
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6Y14
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![BU of 6y14 by Molmil](/molmil-images/mine/6y14) | |
6Y13
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![BU of 6y13 by Molmil](/molmil-images/mine/6y13) | |
6Y1S
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6Y0U
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![BU of 6y0u by Molmil](/molmil-images/mine/6y0u) | Fucosylated Bicyclic peptide bp71 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.5 Angstrom resolution | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ... | Authors: | Baeriswyl, S, Stocker, A, Reymond, J.-L. | Deposit date: | 2020-02-10 | Release date: | 2021-02-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.489 Å) | Cite: | A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography. Rsc Chem Biol, 2, 2021
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6Y0V
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![BU of 6y0v by Molmil](/molmil-images/mine/6y0v) | Fucosylated bicyclic peptide bp71 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.7 Angstrom resolution | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ... | Authors: | Baeriswyl, S, Stocker, A, Reymond, J.-L. | Deposit date: | 2020-02-10 | Release date: | 2021-02-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography. Rsc Chem Biol, 2, 2021
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4DID
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![BU of 4did by Molmil](/molmil-images/mine/4did) | |
4AXX
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5U95
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4DG9
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![BU of 4dg9 by Molmil](/molmil-images/mine/4dg9) | Structure of holo-PA1221, an NRPS protein containing adenylation and PCP domains bound to vinylsulfonamide inhibitor | Descriptor: | 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine, PA1221 | Authors: | Mitchell, C.A, Shi, C, Aldrich, C.C, Gulick, A.M. | Deposit date: | 2012-01-25 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of PA1221, a Nonribosomal Peptide Synthetase Containing Adenylation and Peptidyl Carrier Protein Domains. Biochemistry, 51, 2012
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5TT5
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![BU of 5tt5 by Molmil](/molmil-images/mine/5tt5) | Escherichia coli LigA (K115M) in complex with NAD+ | Descriptor: | DNA ligase, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Goldgur, Y, Unciuleac, M.-C, Shuman, S.H. | Deposit date: | 2016-11-01 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.552 Å) | Cite: | Two-metal versus one-metal mechanisms of lysine adenylylation by ATP-dependent and NAD(+)-dependent polynucleotide ligases. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U89
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![BU of 5u89 by Molmil](/molmil-images/mine/5u89) | Crystal structure of a cross-module fragment from the dimodular NRPS DhbF | Descriptor: | 5'-({[(2R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine, Amino acid adenylation domain protein, MbtH domain protein | Authors: | Tarry, M.J, Schmeing, T.M. | Deposit date: | 2016-12-14 | Release date: | 2017-05-10 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (3.075 Å) | Cite: | X-Ray Crystallography and Electron Microscopy of Cross- and Multi-Module Nonribosomal Peptide Synthetase Proteins Reveal a Flexible Architecture. Structure, 25, 2017
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5UPL
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5UPK
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![BU of 5upk by Molmil](/molmil-images/mine/5upk) | CDC42 binds PAK4 via an extended GTPase-effector interface - 3 peptide: PAK4cat, PAK4-N45, CDC42 | Descriptor: | Cell division control protein 42 homolog, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2017-02-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CDC42 binds PAK4 via an extended GTPase-effector interface. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4C5J
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![BU of 4c5j by Molmil](/molmil-images/mine/4c5j) | Structure of the pyridoxal kinase from Staphylococcus aureus | Descriptor: | PHOSPHOMETHYLPYRIMIDINE KINASE, SULFATE ION | Authors: | Nodwell, M, Alte, F, Sieber, S.A, Schneider, S. | Deposit date: | 2013-09-12 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage. J.Am.Chem.Soc., 136, 2014
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2ROQ
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![BU of 2roq by Molmil](/molmil-images/mine/2roq) | Solution Structure of the thiolation-thioesterase di-domain of enterobactin synthetase component F | Descriptor: | Enterobactin synthetase component F | Authors: | Frueh, D.P, Arthanari, H, Koglin, A, Vosburg, D.A, Bennett, A.E, Walsh, C.T, Wagner, G. | Deposit date: | 2008-04-05 | Release date: | 2008-08-12 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Dynamic thiolation-thioesterase structure of a non-ribosomal peptide synthetase Nature, 454, 2008
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6GFM
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![BU of 6gfm by Molmil](/molmil-images/mine/6gfm) | Crystal structure of the Escherichia coli nucleosidase PpnN (pppGpp-form) | Descriptor: | Pyrimidine/purine nucleotide 5'-monophosphate nucleosidase, guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate) | Authors: | Zhang, Y, Baerentsen, R.L, Gerdes, K, Brodersen, D.E. | Deposit date: | 2018-05-01 | Release date: | 2019-04-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | (p)ppGpp Regulates a Bacterial Nucleosidase by an Allosteric Two-Domain Switch. Mol.Cell, 74, 2019
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