8VY4
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![BU of 8vy4 by Molmil](/molmil-images/mine/8vy4) | Engineering a Tumor-Selective Prodrug T Cell Engager Bispecific Antibody for Safer Immunotherapy | Descriptor: | Fab Heavy Chain, Fab Light Chain, PCA-ASP-GLY-ASN-GLU-GLU-MET | Authors: | Antonysamy, S, Demarest, S, Froning, K, Hickey, M.H, Kuhlman, B, McCue, A.C. | Deposit date: | 2024-02-06 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering a tumor-selective prodrug T-cell engager bispecific antibody for safer immunotherapy. Mabs, 16, 2024
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7AK8
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![BU of 7ak8 by Molmil](/molmil-images/mine/7ak8) | Structure of Salmonella TacT1 toxin bound to TacA1 antitoxin C-terminal peptide | Descriptor: | ACETYL COENZYME *A, GCN5 family acetyltransferase, GLYCEROL, ... | Authors: | Grabe, G.J, Morgan, R.M.L, Helaine, S, Hare, S.A. | Deposit date: | 2020-09-30 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Auxiliary interfaces support the evolution of specific toxin-antitoxin pairing. Nat.Chem.Biol., 17, 2021
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6ZMY
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![BU of 6zmy by Molmil](/molmil-images/mine/6zmy) | Crystal structure of hemoglobin from turkey (Meleagiris gallopova) crystallized in monoclinic form at 1.66 Angstrom resolution | Descriptor: | Hemoglobin beta chain, Hemoglobin subunit alpha-A, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pandian, R, Shobana, N, Sundaresan, S.S, Thangaraj, V, Sayed, Y, Ponnuswamy, M.N. | Deposit date: | 2020-07-04 | Release date: | 2020-07-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.655 Å) | Cite: | Structural studies of hemoglobin from two flightless birds, ostrich and turkey: insights into their differing oxygen-binding properties. Acta Crystallogr D Struct Biol, 77, 2021
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6U07
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![BU of 6u07 by Molmil](/molmil-images/mine/6u07) | Computational Stabilization of T Cell Receptor Constant Domains | Descriptor: | MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta) | Authors: | Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J. | Deposit date: | 2019-08-13 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics. Nat Commun, 11, 2020
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7AK7
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![BU of 7ak7 by Molmil](/molmil-images/mine/7ak7) | Structure of Salmonella TacT2 toxin bound to TacA2 antitoxin | Descriptor: | ACETYL COENZYME *A, Acetyltransferase, CHLORIDE ION, ... | Authors: | Grabe, G.J, Morgan, R.M.L, Hare, S.A, Helaine, S. | Deposit date: | 2020-09-30 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Auxiliary interfaces support the evolution of specific toxin-antitoxin pairing. Nat.Chem.Biol., 17, 2021
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6Q3G
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![BU of 6q3g by Molmil](/molmil-images/mine/6q3g) | Structure of native bacteriophage P68 | Descriptor: | Arstotzka protein, Head fiber protein, Inner core protein, ... | Authors: | Dominik, H, Karel, S, Fuzik, T, Plevka, P. | Deposit date: | 2018-12-04 | Release date: | 2019-11-06 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure and genome ejection mechanism ofStaphylococcus aureusphage P68. Sci Adv, 5, 2019
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7AK9
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![BU of 7ak9 by Molmil](/molmil-images/mine/7ak9) | Structure of Salmonella TacT3 toxin bound to TacA3 antitoxin C-terminal peptide | Descriptor: | ABC transporter, Acetyltransferase, DEPHOSPHO COENZYME A | Authors: | Grabe, G.J, Morgan, R.M.L, Hare, S.A, Helaine, S. | Deposit date: | 2020-09-30 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Auxiliary interfaces support the evolution of specific toxin-antitoxin pairing. Nat.Chem.Biol., 17, 2021
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6TOV
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![BU of 6tov by Molmil](/molmil-images/mine/6tov) | Crystal Structure of Teicoplanin Aglycone | Descriptor: | DIMETHYL SULFOXIDE, Teicoplanin Aglycone | Authors: | Belviso, B.D, Carrozzini, B, Caliandro, R, Altomare, C.D, Bolognino, I, Cellamare, S. | Deposit date: | 2019-12-12 | Release date: | 2020-01-15 | Last modified: | 2022-01-19 | Method: | X-RAY DIFFRACTION (0.767 Å) | Cite: | Enantiomeric Separation and Molecular Modelling of Bioactive 4-Aryl-3,4-dihydropyrimidin-2(1H)-one Ester Derivatives on Teicoplanin-Based Chiral Stationary Phase Separations, 2022
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5O65
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![BU of 5o65 by Molmil](/molmil-images/mine/5o65) | Crystal Structure of the Pseudomonas functional amyloid secretion protein FapF | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, FapF, LAURYL DIMETHYLAMINE-N-OXIDE, ... | Authors: | Rouse, S.L, Hare, S, Lambert, S, Morgan, R.M.L, Hawthorne, W.J, Berry, J, Matthews, S.J. | Deposit date: | 2017-06-05 | Release date: | 2017-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A new class of hybrid secretion system is employed in Pseudomonas amyloid biogenesis. Nat Commun, 8, 2017
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5N0M
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![BU of 5n0m by Molmil](/molmil-images/mine/5n0m) | hPAD4 crystal complex with BB-F-amidine | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | Authors: | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | Deposit date: | 2017-02-03 | Release date: | 2017-05-24 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J. Med. Chem., 60, 2017
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5N0Y
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![BU of 5n0y by Molmil](/molmil-images/mine/5n0y) | hPAD4 crystal complex with AFM-30a | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | Authors: | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | Deposit date: | 2017-02-03 | Release date: | 2017-05-24 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J. Med. Chem., 60, 2017
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5N3W
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![BU of 5n3w by Molmil](/molmil-images/mine/5n3w) | Crystal structure of LTA4H bound to a selective inhibitor against LTB4 generation | Descriptor: | 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol, ACETATE ION, IMIDAZOLE, ... | Authors: | Wong, C.T, Low, C.M, Snelgrove, R.J, Hare, S.A. | Deposit date: | 2017-02-09 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The development of novel LTA4H modulators to selectively target LTB4 generation. Sci Rep, 7, 2017
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5N0Z
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![BU of 5n0z by Molmil](/molmil-images/mine/5n0z) | hPAD4 crystal complex with AFM-41a | Descriptor: | 2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, CALCIUM ION, Protein-arginine deiminase type-4, ... | Authors: | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | Deposit date: | 2017-02-03 | Release date: | 2017-05-24 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J. Med. Chem., 60, 2017
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5N1B
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![BU of 5n1b by Molmil](/molmil-images/mine/5n1b) | hPAD4 crystal complex with AFM-14a | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | Authors: | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | Deposit date: | 2017-02-06 | Release date: | 2017-05-24 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J. Med. Chem., 60, 2017
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4ZER
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![BU of 4zer by Molmil](/molmil-images/mine/4zer) | Crystal structure of the Onc112 antimicrobial peptide bound to the Thermus thermophilus 70S ribosome | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16s ribosomal RNA, 23s ribosomal RNA, ... | Authors: | Seefeldt, A.C, Nguyen, F, Antunes, S, Perebaskine, N, Graf, M, Arenz, S, Inampudi, K.K, Douat, C, Guichard, G, Wilson, D.N, Innis, C.A. | Deposit date: | 2015-04-20 | Release date: | 2015-05-20 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The proline-rich antimicrobial peptide Onc112 inhibits translation by blocking and destabilizing the initiation complex. Nat.Struct.Mol.Biol., 22, 2015
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5LQ6
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![BU of 5lq6 by Molmil](/molmil-images/mine/5lq6) | Salmonella effector SpvD - R161 variant | Descriptor: | SODIUM ION, Virulence protein vsdE | Authors: | Zhang, Y, Grabe, G.J, Rolhion, N, Yang, Y, Holden, D.W, Hare, S.A. | Deposit date: | 2016-08-16 | Release date: | 2016-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence. J. Biol. Chem., 291, 2016
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5MLC
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![BU of 5mlc by Molmil](/molmil-images/mine/5mlc) | Cryo-EM structure of the spinach chloroplast ribosome reveals the location of plastid-specific ribosomal proteins and extensions | Descriptor: | 23S ribosomal RNA, chloroplastic, 4.8S ribosomal RNA, ... | Authors: | Graf, M, Arenz, S, Huter, P, Doenhoefer, A, Novacek, J, Wilson, D.N. | Deposit date: | 2016-12-06 | Release date: | 2016-12-28 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of the spinach chloroplast ribosome reveals the location of plastid-specific ribosomal proteins and extensions. Nucleic Acids Res., 45, 2017
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6HTM
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![BU of 6htm by Molmil](/molmil-images/mine/6htm) | X-ray structure of the tryptophan lyase NosL in complex with bound tryptamin | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, ... | Authors: | Amara, P, Mouesca, J.M, Bella, M, Saragaglia, C, Gambarelli, S, Nicolet, Y. | Deposit date: | 2018-10-04 | Release date: | 2018-11-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration. J.Am.Chem.Soc., 140, 2018
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6G96
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![BU of 6g96 by Molmil](/molmil-images/mine/6g96) | Crystal structure of TacT3 (tRNA acetylating toxin) from Salmonella | Descriptor: | ACETYL COENZYME *A, Acetyltransferase, BICINE, ... | Authors: | Grabe, G.J, Rycroft, J.A, Gollan, B, Hall, A, Cheverton, A.M, Larrouy-Maumus, G, Hare, S.A, Helaine, S. | Deposit date: | 2018-04-10 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4766078 Å) | Cite: | Activity of acetyltransferase toxins involved in Salmonella persister formation during macrophage infection. Nat Commun, 9, 2018
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5MGP
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![BU of 5mgp by Molmil](/molmil-images/mine/5mgp) | Structural basis for ArfA-RF2 mediated translation termination on stop-codon lacking mRNAs | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Huter, P, Mueller, C, Beckert, B, Arenz, S, Berninghausen, O, Beckmann, R, Wilson, N.D. | Deposit date: | 2016-11-21 | Release date: | 2016-12-14 | Last modified: | 2017-08-30 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for ArfA-RF2-mediated translation termination on mRNAs lacking stop codons. Nature, 541, 2017
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5LQ7
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![BU of 5lq7 by Molmil](/molmil-images/mine/5lq7) | Salmonella effector SpvD - G161 variant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Przydacz, M, Grabe, G.J, Holden, D.W, Hare, S.A. | Deposit date: | 2016-08-16 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence. J. Biol. Chem., 291, 2016
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6HTK
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![BU of 6htk by Molmil](/molmil-images/mine/6htk) | X-ray structure of the tryptophan lyase NosL in complex with (R)-(+)-indoline-2-carboxylate | Descriptor: | 1H-indole-2-carboxylic acid, 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, ... | Authors: | Amara, P, Mouesca, J.M, Bella, M, Martin, L, Saragaglia, C, Gambarelli, S, Nicolet, Y. | Deposit date: | 2018-10-04 | Release date: | 2018-11-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration. J.Am.Chem.Soc., 140, 2018
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5NJT
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![BU of 5njt by Molmil](/molmil-images/mine/5njt) | Structure of the Bacillus subtilis hibernating 100S ribosome reveals the basis for 70S dimerization. | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Beckert, B, Abdelshahid, M, Schaefer, H, Steinchen, W, Arenz, S, Berninghausen, O, Beckmann, R, Bange, G, Turgay, K, Wilson, D.N. | Deposit date: | 2017-03-29 | Release date: | 2017-06-14 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of the Bacillus subtilis hibernating 100S ribosome reveals the basis for 70S dimerization. EMBO J., 36, 2017
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6HTO
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![BU of 6hto by Molmil](/molmil-images/mine/6hto) | Tryptophan lyase 'empty state' | Descriptor: | 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, CHLORIDE ION, ... | Authors: | Amara, P, Mouesca, J.M, Bella, M, Martin, L, Saragaglia, C, Gambarelli, S, Nicolet, Y. | Deposit date: | 2018-10-04 | Release date: | 2018-11-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration. J.Am.Chem.Soc., 140, 2018
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7M6U
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![BU of 7m6u by Molmil](/molmil-images/mine/7m6u) | |