2J62
| Structure of a bacterial O-glcnacase in complex with glcnacstatin | Descriptor: | CHLORIDE ION, N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE, O-GlcNAcase NagJ | Authors: | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Shepherd, S.M, Shpiro, N.A, van Aalten, D.M.F. | Deposit date: | 2006-09-22 | Release date: | 2007-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-glcNAcylation levels. J. Am. Chem. Soc., 128, 2006
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6SWX
| Leishmania major methionyl-tRNA synthetase in complex with an allosteric inhibitor | Descriptor: | METHIONINE, Putative methionyl-tRNA synthetase, methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate | Authors: | Robinson, D.A, Torrie, L.S, Shepherd, S.M, De Rycker, M, Thomas, M.G, Wyatt, P.G. | Deposit date: | 2019-09-24 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of an Allosteric Binding Site in Kinetoplastid Methionyl-tRNA Synthetase. Acs Infect Dis., 6, 2020
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3ZFH
| Crystal structure of Pseudomonas aeruginosa inosine 5'-monophosphate dehydrogenase | Descriptor: | CHLORIDE ION, INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE | Authors: | Rao, V.A, Shepherd, S.M, Owen, R, Hunter, W.N. | Deposit date: | 2012-12-11 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of Pseudomonas Aeruginosa Inosine 5'-Monophosphate Dehydrogenase Acta Crystallogr.,Sect.F, 69, 2013
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4A1R
| The Structure of Serratia marcescens Lip, a membrane bound component of the Type VI Secretion System. | Descriptor: | 1,2-ETHANEDIOL, LIP, SODIUM ION | Authors: | Rao, V.A, Shepherd, S.M, English, G, Coulthurst, S.J, Hunter, W.N. | Deposit date: | 2011-09-19 | Release date: | 2011-10-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The Structure of Serratia Marcescens Lip, a Membrane-Bound Component of the Type Vi Secretion System Acta Crystallogr.,Sect.F, 67, 2011
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2Y4R
| CRYSTAL STRUCTURE OF 4-AMINO-4-DEOXYCHORISMATE LYASE FROM PSEUDOMONAS AERUGINOSA | Descriptor: | 1,2-ETHANEDIOL, 4-AMINO-4-DEOXYCHORISMATE LYASE, CHLORIDE ION, ... | Authors: | O'Rourke, P.E.F, Eadsforth, T.C, Fyfe, P.K, Shepard, S.M, Agacan, M, Hunter, W.N. | Deposit date: | 2011-01-10 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Pseudomonas Aeruginosa 4-Amino-4-Deoxychorismate Lyase: Spatial Conservation of an Active Site Tyrosine and Classification of Two Types of Enzyme. Plos One, 6, 2011
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7QI8
| CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR | Descriptor: | 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, LYSINE, Lysine--tRNA ligase 1 | Authors: | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | Deposit date: | 2021-12-14 | Release date: | 2022-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs. Nat Commun, 13, 2022
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7QHN
| CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE and an inhibitor | Descriptor: | 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one, LYSINE, Lysine--tRNA ligase 1 | Authors: | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | Deposit date: | 2021-12-13 | Release date: | 2022-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs. Nat Commun, 13, 2022
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7QH8
| CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE | Descriptor: | GLYCEROL, LYSINE, Lysine--tRNA ligase 1 | Authors: | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | Deposit date: | 2021-12-10 | Release date: | 2022-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs. Nat Commun, 13, 2022
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6HCW
| Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and a difluoro cyclohexyl chromone ligand | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSINE, Lysine--tRNA ligase, ... | Authors: | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | Deposit date: | 2018-08-16 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HCV
| Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand | Descriptor: | 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, Lysine--tRNA ligase | Authors: | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | Deposit date: | 2018-08-16 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HCU
| Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ... | Authors: | Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | Deposit date: | 2018-08-16 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019
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5NFH
| Trypanosoma brucei methionyl-tRNA synthetase in complex with a quinazolinone inhibitor | Descriptor: | 2-[3-[[4,6-bis(chloranyl)-1~{H}-indol-2-yl]methylamino]propylamino]-3~{H}-quinazolin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Robinson, D.A, Eadsforth, T.C, Shepherd, S.M, Torrie, L.S, De Rycker, M, Gilbert, I.H. | Deposit date: | 2017-03-14 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Chemical Validation of Methionyl-tRNA Synthetase as a Druggable Target in Leishmania donovani. ACS Infect Dis, 3, 2017
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7ZOG
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3OC2
| Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa | Descriptor: | CHLORIDE ION, Penicillin-binding protein 3 | Authors: | Sainsbury, S, Bird, L, Stuart, D.I, Owens, R.J, Ren, J, Oxford Protein Production Facility (OPPF) | Deposit date: | 2010-08-09 | Release date: | 2010-11-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.968 Å) | Cite: | Crystal structures of penicillin-binding protein 3 from Pseudomonas aeruginosa: comparison of native and antibiotic-bound forms J.Mol.Biol., 405, 2011
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3OCN
| Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa in complex with ceftazidime | Descriptor: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, penicillin-binding protein 3 | Authors: | Sainsbury, S, Bird, L, Stuart, D.I, Owens, R.J, Ren, J, Oxford Protein Production Facility (OPPF) | Deposit date: | 2010-08-10 | Release date: | 2010-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structures of penicillin-binding protein 3 from Pseudomonas aeruginosa: comparison of native and antibiotic-bound forms J.Mol.Biol., 405, 2011
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3OCL
| Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa in complex with carbenicillin | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Sainsbury, S, Bird, L, Stuart, D.I, Owens, R.J, Ren, J, Oxford Protein Production Facility (OPPF) | Deposit date: | 2010-08-10 | Release date: | 2010-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of penicillin-binding protein 3 from Pseudomonas aeruginosa: comparison of native and antibiotic-bound forms J.Mol.Biol., 405, 2011
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2JLB
| Xanthomonas campestris putative OGT (XCC0866), complex with UDP- GlcNAc phosphonate analogue | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE, ... | Authors: | Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F. | Deposit date: | 2008-09-07 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase. Embo J., 27, 2008
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6AGT
| Crystal structure of PfKRS complexed with chromone inhibitor | Descriptor: | COBALT (II) ION, FORMIC ACID, LYSINE, ... | Authors: | Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C. | Deposit date: | 2018-08-14 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5ELO
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5ELN
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2VSY
| Xanthomonas campestris putative OGT (XCC0866), apostructure | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F. | Deposit date: | 2008-05-01 | Release date: | 2008-11-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase. Embo J., 27, 2008
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4AG7
| C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): coenzyme A adduct | Descriptor: | COENZYME A, GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE | Authors: | Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F. | Deposit date: | 2012-01-24 | Release date: | 2012-07-25 | Last modified: | 2012-08-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and Biochemical Characterization of a Trapped Coenzyme a Adduct of Caenorhabditis Elegans Glucosamine-6-Phosphate N-Acetyltransferase 1. Acta Crystallogr.,Sect.D, 68, 2012
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4AG9
| C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): ternary complex with coenzyme A and GlcNAc | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, ... | Authors: | Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F. | Deposit date: | 2012-01-24 | Release date: | 2012-07-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural and Biochemical Characterization of a Trapped Coenzyme a Adduct of Caenorhabditis Elegans Glucosamine-6-Phosphate N-Acetyltransferase 1. Acta Crystallogr.,Sect.D, 68, 2012
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