6F9H
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![BU of 6f9h by Molmil](/molmil-images/mine/6f9h) | Crystal structure of Barley Beta-Amylase complexed with 4-S-alpha-D-glucopyranosyl-(1,4-dideoxy-4-thio-nojirimycin) | Descriptor: | 1,4-dideoxy-4-thio-nojirimycin, Beta-amylase, CHLORIDE ION, ... | Authors: | Moncayo, M.A, Rodrigues, L.L, Stevenson, C.E.M, Ruzanski, C, Rejzek, M, Lawson, D.M, Angulo, J, Field, R.A. | Deposit date: | 2017-12-14 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis, biological and structural analysis of prospective glycosyl-iminosugar prodrugs: impact on germination To be published
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1HJL
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![BU of 1hjl by Molmil](/molmil-images/mine/1hjl) | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis protein MobA | Descriptor: | CITRIC ACID, LITHIUM ION, MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS PROTEIN A | Authors: | Guse, A, Stevenson, C.E.M, Kuper, J, Buchanan, G, Schwarz, G, Mendel, R.R, Lawson, D.M, Palmer, T. | Deposit date: | 2003-02-27 | Release date: | 2003-05-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis Protein Moba J.Biol.Chem., 278, 2003
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1HJJ
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![BU of 1hjj by Molmil](/molmil-images/mine/1hjj) | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis protein MobA | Descriptor: | CITRIC ACID, LITHIUM ION, MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS PROTEIN A | Authors: | Guse, A, Stevenson, C.E.M, Kuper, J, Buchanan, G, Schwarz, G, Mendel, R.R, Lawson, D.M, Palmer, T. | Deposit date: | 2003-02-27 | Release date: | 2003-05-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis Protein Moba J.Biol.Chem., 278, 2003
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2WK1
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![BU of 2wk1 by Molmil](/molmil-images/mine/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
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6YD9
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![BU of 6yd9 by Molmil](/molmil-images/mine/6yd9) | Ecoli GyrB24 with inhibitor 16a | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | Authors: | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | Deposit date: | 2020-03-20 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors. Acs Med.Chem.Lett., 11, 2020
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6ZT5
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![BU of 6zt5 by Molmil](/molmil-images/mine/6zt5) | Complex between a homodimer of Mycobacterium smegmatis MfpA and a single copy of the N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit | Descriptor: | DNA gyrase subunit B, Pentapeptide repeat protein MfpA, SULFATE ION | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | Deposit date: | 2020-07-17 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZT4
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![BU of 6zt4 by Molmil](/molmil-images/mine/6zt4) | Pentapeptide repeat protein MfpA from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, Pentapeptide repeat protein MfpA | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | Deposit date: | 2020-07-17 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZT3
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![BU of 6zt3 by Molmil](/molmil-images/mine/6zt3) | N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit complexed with ADPNP | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, MAGNESIUM ION, ... | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | Deposit date: | 2020-07-17 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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6Z1A
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![BU of 6z1a by Molmil](/molmil-images/mine/6z1a) | Ternary complex of Staphylococcus aureus DNA gyrase with AMK12 and DNA | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Kolaric, A, Germe, T, Hrast, M, Stevenson, C.E.M, Lawson, D.M, Burton, N, Voros, J, Maxwell, A, Minovski, N, Anderluh, M. | Deposit date: | 2020-05-13 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bonds. Nat Commun, 12, 2021
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8BN6
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![BU of 8bn6 by Molmil](/molmil-images/mine/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
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8BV0
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![BU of 8bv0 by Molmil](/molmil-images/mine/8bv0) | Binary complex between the NB-ARC domain from the Tomato immune receptor NRC1 and the SPRY domain-containing effector SS15 from the potato cyst nematode | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, NRC1, Truncated secreted SPRY domain-containing protein 15 (Fragment) | Authors: | Contreras, M.P, Pai, H, Muniyandi, S, Toghani, A, Lawson, D.M, Tumtas, Y, Duggan, C, Yuen, E.L.H, Stevenson, C.E.M, Harant, A, Wu, C.H, Bozkurt, T.O, Kamoun, S, Derevnina, L. | Deposit date: | 2022-12-01 | Release date: | 2022-12-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Resurrection of plant disease resistance proteins via helper NLR bioengineering. Sci Adv, 9, 2023
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8A3N
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![BU of 8a3n by Molmil](/molmil-images/mine/8a3n) | Geissoschizine synthase from Catharanthus roseus - binary complex with NADP+ | Descriptor: | Geissoschizine synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION | Authors: | Langley, C, Tatsis, E, Hong, B, Nakamura, Y, Kamileen, M.O, Paetz, C, Stevenson, C.E.M, Basquin, J, Lawson, D.M, Caputi, L, O'Connor, S.E. | Deposit date: | 2022-06-08 | Release date: | 2022-10-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism. Angew.Chem.Int.Ed.Engl., 61, 2022
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5L40
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![BU of 5l40 by Molmil](/molmil-images/mine/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
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5L4L
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![BU of 5l4l by Molmil](/molmil-images/mine/5l4l) | polyketide ketoreductase SimC7 - ternary complex with NADP+ and 7-oxo-SD8 | Descriptor: | 7-oxo-simocyclinone D8, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J. | Deposit date: | 2016-05-25 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate. Cell Chem Biol, 23, 2016
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5L3Z
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![BU of 5l3z by Molmil](/molmil-images/mine/5l3z) | polyketide ketoreductase SimC7 - binary complex with NADP+ | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 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: | 2017-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate. Cell Chem Biol, 23, 2016
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5L45
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![BU of 5l45 by Molmil](/molmil-images/mine/5l45) | polyketide ketoreductase SimC7 - apo crystal form 2 | Descriptor: | GLYCEROL, SimC7, TETRAETHYLENE GLYCOL | Authors: | Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J. | Deposit date: | 2016-05-25 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate. Cell Chem Biol, 23, 2016
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5LGV
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![BU of 5lgv by Molmil](/molmil-images/mine/5lgv) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltooctaose | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2016-07-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
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5LGW
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![BU of 5lgw by Molmil](/molmil-images/mine/5lgw) | GlgE isoform 1 from Streptomyces coelicolor D394A mutant co-crystallised with maltodextrin | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, CITRIC ACID, ... | Authors: | Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2016-07-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
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5LQD
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![BU of 5lqd by Molmil](/molmil-images/mine/5lqd) | Trehalose-6-phosphate synthase, GDP-glucose-dependent OtsA | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase | Authors: | Miah, F, Asencion Diez, M.D, Stevenson, C.E.M, Lawson, D.M, Iglesias, A.A, Bornemann, S. | Deposit date: | 2016-08-16 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Production and Utilization of GDP-glucose in the Biosynthesis of Trehalose 6-Phosphate by Streptomyces venezuelae. J. Biol. Chem., 292, 2017
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5M0T
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![BU of 5m0t by Molmil](/molmil-images/mine/5m0t) | Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH, FE (II) ION, ... | Authors: | Jakubczyk, D, Caputi, L, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2016-10-05 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural characterization of EasH (Aspergillus japonicus) - an oxidase involved in cycloclavine biosynthesis. Chem. Commun. (Camb.), 52, 2016
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1E84
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![BU of 1e84 by Molmil](/molmil-images/mine/1e84) | Cytochrome c' from Alcaligenes xylosoxidans - reduced structure | Descriptor: | CYTOCHROME C', HEME C | Authors: | Lawson, D.M, Stevenson, C.E.M, Andrew, C.R, Eady, R.R. | Deposit date: | 2000-09-15 | Release date: | 2000-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unprecedented Proximal Binding of Nitric Oxide to Heme: Implications for Guanylate Cyclase Embo J., 19, 2000
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1E86
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![BU of 1e86 by Molmil](/molmil-images/mine/1e86) | Cytochrome c' from Alcaligenes xylosoxidans - reduced structure with CO bound to distal side of heme | Descriptor: | CARBON MONOXIDE, CYTOCHROME C', HEME C | Authors: | Lawson, D.M, Stevenson, C.E.M, Andrew, C.R, Eady, R.R. | Deposit date: | 2000-09-15 | Release date: | 2000-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Unprecedented Proximal Binding of Nitric Oxide to Heme: Implications for Guanylate Cyclase Embo J., 19, 2000
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1E85
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![BU of 1e85 by Molmil](/molmil-images/mine/1e85) | Cytochrome c' from Alcaligenes xylosoxidans - reduced structure with NO bound to proximal side of heme | Descriptor: | CYTOCHROME C', HEME C, NITRIC OXIDE | Authors: | Lawson, D.M, Stevenson, C.E.M, Andrew, C.R, Eady, R.R. | Deposit date: | 2000-09-15 | Release date: | 2000-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Unprecedented Proximal Binding of Nitric Oxide to Heme: Implications for Guanylate Cyclase. Embo J., 19, 2000
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1E83
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![BU of 1e83 by Molmil](/molmil-images/mine/1e83) | Cytochrome c' from Alcaligenes xylosoxidans - oxidized structure | Descriptor: | CYTOCHROME C', HEME C | Authors: | Lawson, D.M, Stevenson, C.E.M, Andrew, C.R, Eady, R.R. | Deposit date: | 2000-09-15 | Release date: | 2000-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Unprecedented Proximal Binding of Nitric Oxide to Heme: Implications for Guanylate Cyclase Embo J., 19, 2000
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7PTF
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![BU of 7ptf by Molmil](/molmil-images/mine/7ptf) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B, ... | Authors: | Cotman, A.E, 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: | 2021-09-27 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.32 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
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