1E4E
 
 | | D-alanyl-D-lacate ligase | | Descriptor: | 1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Roper, D.I. | | Deposit date: | 2000-07-03 | | Release date: | 2001-06-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The molecular basis of vancomycin resistance in clinically relevant Enterococci: crystal structure of D-alanyl-D-lactate ligase (VanA).
Proc. Natl. Acad. Sci. U.S.A., 97, 2000
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1GQZ
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7ZG8
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6R1N
 | | Crystal structure of S. aureus seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Salimraj, R, Cain, R, Roper, D.I. | | Deposit date: | 2019-03-14 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.
J.Med.Chem., 62, 2019
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6R1O
 | | Crystal structure of E. coli seryl-tRNA synthetase complexed to a seryl sulfamoyl adenosine derivative | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Salimraj, R, Cain, R, Roper, D.I. | | Deposit date: | 2019-03-14 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.
J.Med.Chem., 62, 2019
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6R1M
 | | Crystal structure of E. coli seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, PHOSPHATE ION, ... | | Authors: | Salimraj, R, Cain, R, Roper, D.I. | | Deposit date: | 2019-03-14 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.
J.Med.Chem., 62, 2019
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7A2D
 | | Structure-function analyses of dual-BON domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation to the cell division site | | Descriptor: | Uncharacterized protein YraP | | Authors: | Bryant, J.A, Morris, F.C, Knowles, T.J, Maderbocus, R, Heinz, E, Boelter, G, Alodaini, D, Colyer, A, Wotherspoon, P.J, Staunton, K.A, Jeeves, M, Browning, D.F, Sevastsyanovich, Y.R, Wells, T.J, Rossiter, A.E, Bavro, V.N, Sridhar, P, Ward, D.G, Chong, Z.S, Goodall, E.C.A, Icke, C, Teo, A, Chng, S.S, Roper, D.I, Lithgow, T, Cunningham, A.F, Banzhaf, M, Overduin, M, Henderson, I.R. | | Deposit date: | 2020-08-17 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of dual BON-domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation.
Elife, 9, 2020
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7TPG
 | | Single-Particle Cryo-EM Structure of the WaaL O-antigen ligase in its ligand bound state | | Descriptor: | Fab Heavy (H) Chain, Fab Light (L) Chain, GERANYL DIPHOSPHATE, ... | | Authors: | Ashraf, K.U, Nygaard, R, Vickery, O.N, Erramilli, S.K, Herrera, C.M, McConville, T.H, Petrou, V.I, Giacometti, S.I, Dufrisne, M.B, Nosol, K, Zinkle, A.P, Graham, C.L.B, Loukeris, M, Kloss, B, Skorupinska-Tudek, K, Swiezewska, E, Roper, D, Clarke, O.B, Uhlemann, A.C, Kossiakoff, A.A, Trent, M.S, Stansfeld, P.J, Mancia, F. | | Deposit date: | 2022-01-25 | | Release date: | 2022-04-06 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural basis of lipopolysaccharide maturation by the O-antigen ligase.
Nature, 604, 2022
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7TPJ
 | | Single-Particle Cryo-EM Structure of the WaaL O-antigen ligase in its apo state | | Descriptor: | Fab Heavy (H) Chain, Fab Light (L) Chain, Putative cell surface polysaccharide polymerase/ligase | | Authors: | Ashraf, K.U, Nygaard, R, Vickery, O.N, Erramilli, S.K, Herrera, C.M, McConville, T.H, Petrou, V.I, Giacometti, S.I, Dufrisne, M.B, Nosol, K, Zinkle, A.P, Graham, C.L.B, Loukeris, M, Kloss, B, Skorupinska-Tudek, K, Swiezewska, E, Roper, D, Clarke, O.B, Uhlemann, A.C, Kossiakoff, A.A, Trent, M.S, Stansfeld, P.J, Mancia, F. | | Deposit date: | 2022-01-25 | | Release date: | 2022-04-06 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Structural basis of lipopolysaccharide maturation by the O-antigen ligase.
Nature, 604, 2022
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6FTB
 | | Staphylococcus aureus monofunctional glycosyltransferase in complex with moenomycin | | Descriptor: | (2R)-2,3-dihydroxypropyl dodecanoate, 1,2-ETHANEDIOL, MOENOMYCIN, ... | | Authors: | Punekar, A.S, Dowson, C.J, Roper, D.I. | | Deposit date: | 2018-02-20 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The role of the jaw subdomain of peptidoglycan glycosyltransferases for lipid II polymerization.
Cell Surf, 2, 2018
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1S4D
 | | Crystal Structure Analysis of the S-adenosyl-L-methionine dependent uroporphyrinogen-III C-methyltransferase SUMT | | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, Uroporphyrin-III C-methyltransferase | | Authors: | Vevodova, J, Graham, R.M, Raux, E, Schubert, H.L, Roper, D.I, Brindley, A.A, Scott, A.I, Roessner, C.A, Stamford, N.P.J, Stroupe, M.E, Getzoff, E.D, Warren, M.J, Wilson, K.S. | | Deposit date: | 2004-01-16 | | Release date: | 2004-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure/Function Studies on a S-Adenosyl-l-methionine-dependent Uroporphyrinogen III C Methyltransferase (SUMT), a Key Regulatory Enzyme of Tetrapyrrole Biosynthesis
J.Mol.Biol., 344, 2004
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3FVE
 | | Crystal structure of diaminopimelate epimerase Mycobacterium tuberculosis DapF | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Diaminopimelate epimerase, GLYCEROL | | Authors: | Usha, V, Dover, L.G, Roper, D.I, Futterer, K, Besra, G.S. | | Deposit date: | 2009-01-15 | | Release date: | 2009-01-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the diaminopimelate epimerase DapF from Mycobacterium tuberculosis
Acta Crystallogr.,Sect.D, 65, 2009
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1OTG
 | | 5-CARBOXYMETHYL-2-HYDROXYMUCONATE ISOMERASE | | Descriptor: | 5-CARBOXYMETHYL-2-HYDROXYMUCONATE ISOMERASE, SULFATE ION | | Authors: | Subramanya, H.S, Roper, D.I, Dauter, Z, Dodson, E.J, Davies, G.J, Wilson, K.S, Wigley, D.B. | | Deposit date: | 1995-11-09 | | Release date: | 1996-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Enzymatic ketonization of 2-hydroxymuconate: specificity and mechanism investigated by the crystal structures of two isomerases.
Biochemistry, 35, 1996
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1OTF
 | | 4-OXALOCROTONATE TAUTOMERASE-TRICLINIC CRYSTAL FORM | | Descriptor: | 4-OXALOCROTONATE TAUTOMERASE | | Authors: | Subramanya, H.S, Roper, D.I, Dauter, Z, Dodson, E.J, Davies, G.J, Wilson, K.S, Wigley, D.B. | | Deposit date: | 1995-11-09 | | Release date: | 1996-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Enzymatic ketonization of 2-hydroxymuconate: specificity and mechanism investigated by the crystal structures of two isomerases.
Biochemistry, 35, 1996
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1I7O
 | | CRYSTAL STRUCTURE OF HPCE | | Descriptor: | 4-HYDROXYPHENYLACETATE DEGRADATION BIFUNCTIONAL ISOMERASE/DECARBOXYLASE, CALCIUM ION | | Authors: | Tame, J.R.H, Namba, K, Dodson, E.J, Roper, D.I. | | Deposit date: | 2001-03-10 | | Release date: | 2001-03-28 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of HpcE, a multi-functional enzyme fold
To be Published
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2OTN
 | | Crystal structure of the catalytically active form of diaminopimelate epimerase from Bacillus anthracis | | Descriptor: | Diaminopimelate epimerase | | Authors: | Matho, M.H, Fukuda, K, Santelli, E, Jaroszewski, L, Liddington, R.C, Roper, D. | | Deposit date: | 2007-02-08 | | Release date: | 2008-03-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure and inhibition of a catalytically active form of diaminopimelate epimerase (DapF)from Bacillus anthracis
To be Published
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5UG1
 | | Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain with methylsulfonyl adduct | | Descriptor: | Acyltransferase, SODIUM ION, methanesulfonic acid | | Authors: | Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-01-06 | | Release date: | 2017-10-25 | | Last modified: | 2017-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA).
PLoS Pathog., 13, 2017
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5UFY
 | | Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain | | Descriptor: | Acyltransferase, SODIUM ION | | Authors: | Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-01-06 | | Release date: | 2017-10-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA).
PLoS Pathog., 13, 2017
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1GZI
 | | CRYSTAL STRUCTURE OF TYPE III ANTIFREEZE PROTEIN FROM OCEAN POUT, AT 1.8 ANGSTROM RESOLUTION | | Descriptor: | HPLC-12 TYPE III ANTIFREEZE PROTEIN | | Authors: | Antson, A.A, Lewis, S, Roper, D.I, Smith, D.J, Hubbard, R.E. | | Deposit date: | 1996-10-25 | | Release date: | 1997-09-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Structure of Type III Antifreeze Protein from Ocean Pout
To be Published
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1HG7
 | | High resolution structure of HPLC-12 type III antifreeze protein from Ocean Pout Macrozoarces americanus | | Descriptor: | HPLC-12 TYPE III ANTIFREEZE PROTEIN, SULFATE ION | | Authors: | Antson, A.A, Smith, D.J, Roper, D.I, Lewis, S, Caves, L.S.D, Verma, C.S, Buckley, S.L, Lillford, P.J, Hubbard, R.E. | | Deposit date: | 2000-12-13 | | Release date: | 2001-01-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Understanding the Mechanism of Ice Binding by Type III Antifreeze Protein
J.Mol.Biol., 305, 2001
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1GTT
 | | CRYSTAL STRUCTURE OF HPCE | | Descriptor: | 4-HYDROXYPHENYLACETATE DEGRADATION BIFUNCTIONAL ISOMERASE/DECARBOXYLASE, CALCIUM ION | | Authors: | Tame, J.R.H, Namba, K, Dodson, E.J, Roper, D.I. | | Deposit date: | 2002-01-18 | | Release date: | 2002-03-08 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of Hpce, a Bifunctional Decarboxylase/Isomerase with a Multifunctional Fold.
Biochemistry, 41, 2002
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2VWT
 | | Crystal structure of YfaU, a metal ion dependent class II aldolase from Escherichia coli K12 - Mg-pyruvate product complex | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Rea, D, Rakus, J.F, Gerlt, J.A, Fulop, V, Bugg, T.D.H, Roper, D.I. | | Deposit date: | 2008-06-26 | | Release date: | 2008-09-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal Structure and Functional Assignment of Yfau, a Metal Ion Dependent Class II Aldolase from Escherichia Coli K12.
Biochemistry, 47, 2008
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2VWS
 | | Crystal structure of YfaU, a metal ion dependent class II aldolase from Escherichia coli K12 | | Descriptor: | GLYCEROL, PHOSPHATE ION, YFAU, ... | | Authors: | Rea, D, Rakus, J.F, Gerlt, J.A, Fulop, V, Bugg, T.D.H, Roper, D.I. | | Deposit date: | 2008-06-26 | | Release date: | 2008-09-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Crystal Structure and Functional Assignment of Yfau, a Metal Ion Dependent Class II Aldolase from Escherichia Coli K12.
Biochemistry, 47, 2008
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4C5C
 | | The X-ray crystal structure of D-alanyl-D-alanine ligase in complex with ADP and D-ala-D-ala | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-ALANINE--D-ALANINE LIGASE, ... | | Authors: | Batson, S, Majce, V, Lloyd, A.J, Rea, D, Fishwick, C.W.G, Simmons, K.J, Fulop, V, Roper, D.I. | | Deposit date: | 2013-09-10 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Inhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine.
Nat Commun, 8, 2017
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4C5A
 | | The X-ray crystal structures of D-alanyl-D-alanine ligase in complex ADP and D-cycloserine phosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-ALANINE--D-ALANINE LIGASE, GLYCEROL, ... | | Authors: | Batson, S, Majce, V, Lloyd, A.J, Rea, D, Fishwick, C.W.G, Simmons, K.J, Fulop, V, Roper, D.I. | | Deposit date: | 2013-09-10 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Inhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine.
Nat Commun, 8, 2017
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