8BN6
| Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | Authors: | Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2022-11-12 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus . J.Med.Chem., 66, 2023
|
|
6RJ8
| Structure of the alpha-beta hydrolase CorS from Tabernathe iboga | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | Authors: | Farrow, S.C, Caputi, L, Kamileen, M.O, Bussey, K, Stevenson, C.E.M, Mundy, J, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2019-04-26 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids. Nat.Chem.Biol., 16, 2020
|
|
6S6H
| Crystal structure of the DNA binding domain of the chromosome-partitioning protein ParB complexed to the centromeric parS site | Descriptor: | Chromosome-partitioning protein ParB, DNA (5'-D(*GP*AP*TP*GP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*CP*AP*TP*C)-3'), GLYCEROL | Authors: | Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Tan, E.X, Lawson, D.M, Le, T.B.K. | Deposit date: | 2019-07-03 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family. Cell Rep, 32, 2020
|
|
6RS4
| Structure of tabersonine synthase - an alpha-beta hydrolase from Catharanthus roseus | Descriptor: | 1,2-ETHANEDIOL, Tabersonine synthase | Authors: | Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2019-05-21 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids. Nat.Chem.Biol., 16, 2020
|
|
6RT8
| Structure of catharanthine synthase - an alpha-beta hydrolase from Catharanthus roseus with a cleaviminium intermediate bound | Descriptor: | 18-carboxymethoxy-cleaviminium, Catharanthine synthase, HEXAETHYLENE GLYCOL | Authors: | Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2019-05-22 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids. Nat.Chem.Biol., 16, 2020
|
|
6T1F
| Crystal structure of the C-terminally truncated chromosome-partitioning protein ParB from Caulobacter crescentus complexed to the centromeric parS site | Descriptor: | Chromosome-partitioning protein ParB, DNA (5'-D(*GP*GP*AP*TP*GP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*CP*AP*TP*CP*C)-3') | Authors: | Jalal, A.S.B, Pastrana, C.L, Tran, N.T, Stevenson, C.E.M, Lawson, D.M, Moreno-Herrero, F, Le, T.B.K. | Deposit date: | 2019-10-04 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A CTP-dependent gating mechanism enables ParB spreading on DNA. Elife, 10, 2021
|
|
6TVP
| Structure of Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM | Descriptor: | Alpha-maltose-1-phosphate synthase, SODIUM ION | Authors: | Syson, K, Stevenson, C.E.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2020-01-10 | Release date: | 2020-04-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM. Acta Crystallogr.,Sect.F, 76, 2020
|
|
2UYJ
| Crystal structure of E. coli TdcF with bound ethylene glycol | Descriptor: | 1,2-ETHANEDIOL, PROTEIN TDCF | Authors: | Burman, J.D, Stevenson, C.E.M, Sawers, R.G, Lawson, D.M. | Deposit date: | 2007-04-10 | Release date: | 2007-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Crystal Structure of Escherichia Coli Tdcf, a Member of the Highly Conserved Yjgf/Yer057C/Uk114 Family. Bmc Struct.Biol., 7, 2007
|
|
2UYA
| DEL162-163 mutant of Bacillus subtilis Oxalate Decarboxylase OxdC | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Just, V.J, Burrell, M.R, Bowater, L, McRobbie, I, Stevenson, C.E.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2007-04-03 | Release date: | 2007-08-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Identity of the Active Site of Oxalate Decarboxylase and the Importance of the Stability of Active-Site Lid Conformations. Biochem.J., 407, 2007
|
|
2WK1
| Structure of the O-methyltransferase NovP | Descriptor: | 1,2-ETHANEDIOL, NOVP, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Gomez Garcia, I, Stevenson, C.E.M, Uson, I, Freel Meyers, C.L, Walsh, C.T, Lawson, D.M. | Deposit date: | 2009-06-03 | Release date: | 2009-12-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Crystal Structure of the Novobiocin Biosynthetic Enzyme Novp: The First Representative Structure for the Tylf O-Methyltransferase Superfamily. J.Mol.Biol., 395, 2010
|
|
7NG0
| Crystal structure of N- and C-terminally truncated Geobacillus thermoleovorans nucleoid occlusion protein Noc | Descriptor: | Nucleoid occlusion protein, SULFATE ION | Authors: | Jalal, A.S.B, Tran, N.T, Wu, L.J, Ramakrishnan, K, Rejzek, M, Stevenson, C.E.M, Lawson, D.M, Errington, J, Le, T.B.K. | Deposit date: | 2021-02-08 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | CTP regulates membrane-binding activity of the nucleoid occlusion protein Noc. Mol.Cell, 81, 2021
|
|
7NFU
| Crystal structure of C-terminally truncated Geobacillus thermoleovorans nucleoid occlusion protein Noc | Descriptor: | GLYCEROL, Nucleoid occlusion protein, SULFATE ION | Authors: | Jalal, A.S.B, Tran, N.T, Wu, L.J, Ramakrishnan, K, Rejzek, M, Stevenson, C.E.M, Lawson, D.M, Errington, J, Le, T.B.K. | Deposit date: | 2021-02-07 | Release date: | 2021-02-17 | Last modified: | 2021-09-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | CTP regulates membrane-binding activity of the nucleoid occlusion protein Noc. Mol.Cell, 81, 2021
|
|
7P2N
| E.coli GyrB24 with inhibitor LSJ38 (EBL2684) | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Exploring the 5-Substituted 2-Aminobenzothiazole-Based DNA Gyrase B Inhibitors Active against ESKAPE Pathogens. Acs Omega, 8, 2023
|
|
7P2X
| E.coli GyrB24 with inhibitor KOB20 (EBL2583) | Descriptor: | (2Z)-2-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Benek, O, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | E.coli GyrB24 with inhibitor KOB20 (EBL2583) TO BE PUBLISHED
|
|
7P2M
| E.coli GyrB24 with inhibitor LMD43 (EBL2560) | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
|
|
7P2W
| E.coli GyrB24 with inhibitor LMD92 (EBL2682) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, ... | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
|
|
2C0Z
| The 1.6 A resolution crystal structure of NovW: a 4-keto-6-deoxy sugar epimerase from the novobiocin biosynthetic gene cluster of Streptomyces spheroides | Descriptor: | 1,2-ETHANEDIOL, NOVW, SULFATE ION | Authors: | Jakimowicz, P, Tello, M, Freel-Meyers, C.L, Walsh, C.T, Buttner, M.J, Field, R.A, Lawson, D.M. | Deposit date: | 2005-09-09 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The 1.6 A Resolution Crystal Structure of Novw: A 4-Keto-6-Deoxy Sugar Epimerase from the Novobiocin Biosynthetic Gene Cluster of Streptomyces Spheroides Proteins, 63, 2006
|
|
2CJJ
| Crystal Structure of the MYB domain of the RAD transcription factor from Antirrhinum majus | Descriptor: | RADIALIS | Authors: | Stevenson, C.E.M, Burton, N, Costa, M.M, Nath, U, Dixon, R.A, Coen, E.S, Lawson, D.M. | Deposit date: | 2006-04-04 | Release date: | 2006-10-25 | Last modified: | 2017-07-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Myb Domain of the Rad Transcription Factor from Antirrhinum Majus. Proteins: Struct., Funct., Bioinf., 65, 2006
|
|
3ZMD
| Crystal structure of AbsC, a MarR family transcriptional regulator from Streptomyces coelicolor | Descriptor: | 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, CHLORIDE ION, ... | Authors: | Stevenson, C.E.M, Kock, H, Mootien, S, Davies, S.C, Bibb, M.J, Lawson, D.M. | Deposit date: | 2013-02-07 | Release date: | 2013-02-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Absc, a Marr Family Transcriptional Regulator from Streptomyces Coelicolor To be Published
|
|
5H81
| HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - COMPLEX WITH NADP+ | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION, heteroyohimbine synthase THAS2 | Authors: | Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E. | Deposit date: | 2015-12-23 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity. Nat Commun, 7, 2016
|
|
5H83
| HETEROYOHIMBINE SYNTHASE HYS FROM CATHARANTHUS ROSEUS - APO FORM | Descriptor: | ZINC ION, heteroyohimbine synthase HYS | Authors: | Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E. | Deposit date: | 2015-12-23 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity. Nat Commun, 7, 2016
|
|
5H82
| HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - APO FORM | Descriptor: | ZINC ION, heteroyohimbine synthase THAS2 | Authors: | Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E. | Deposit date: | 2015-12-23 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity. Nat Commun, 7, 2016
|
|
2WMC
| Crystal structure of eukaryotic initiation factor 4E from Pisum sativum | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E | Authors: | Ashby, J.A, Stevenson, C.E.M, Maule, A.J, Lawson, D.M. | Deposit date: | 2009-06-30 | Release date: | 2010-09-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Mutational Analysis of Eif4E in Relation to Sbm1 Resistance to Pea Seed-Borne Mosaic Virus in Pea. Plos One, 6, 2011
|
|
2Y3P
| Crystal structure of N-terminal domain of GyrA with the antibiotic simocyclinone D8 | Descriptor: | DNA GYRASE SUBUNIT A, MAGNESIUM ION, SIMOCYCLINONE D8 | Authors: | Edwards, M.J, Flatman, R.H, Mitchenall, L.A, Stevenson, C.E.M, Le, T.B.K, Clarke, T.A, McKay, A.R, Fiedler, H.-P, Buttner, M.J, Lawson, D.M, Maxwell, A. | Deposit date: | 2010-12-22 | Release date: | 2010-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | A Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8, Bound to DNA Gyrase. Science, 326, 2009
|
|
5L40
| polyketide ketoreductase SimC7 - apo crystal form 1 | Descriptor: | polyketide ketoreductase SimC7 | Authors: | Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J. | Deposit date: | 2016-05-24 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate. Cell Chem Biol, 23, 2016
|
|