3ZSO
| Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based design | Descriptor: | 5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, INTEGRASE, ... | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Deadman, J.J, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L. | Deposit date: | 2011-06-30 | Release date: | 2012-07-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
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4B2G
| Crystal Structure of an Indole-3-Acetic Acid Amido Synthase from Vitis vinifera Involved in Auxin Homeostasis | Descriptor: | GH3-1 AUXIN CONJUGATING ENZYME, MALONATE ION, [(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl] 2-(1H-indol-3-yl)ethyl hydrogen phosphate | Authors: | Peat, T.S, Bottcher, C, Newman, J, Lucent, D, Cowieson, N, Davies, C. | Deposit date: | 2012-07-16 | Release date: | 2012-12-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of an Indole-3-Acetic Acid Amido Synthetase from Grapevine Involved in Auxin Homeostasis. Plant Cell, 24, 2012
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1QP8
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4CNW
| Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture | Descriptor: | CALCIUM ION, CARBONIC ANHYDRASE 2, ZINC ION | Authors: | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | Deposit date: | 2014-01-25 | Release date: | 2015-02-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
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4CNX
| Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture | Descriptor: | CARBONIC ANHYDRASE 2, DI(HYDROXYETHYL)ETHER, ZINC ION | Authors: | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | Deposit date: | 2014-01-25 | Release date: | 2015-02-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
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4CQC
| The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, N-ISOPROPYLAMMELIDE ISOPROPYL AMIDOHYDROLASE, ... | Authors: | Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C. | Deposit date: | 2014-02-13 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc Plos One, 1, 2015
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4CNV
| Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture | Descriptor: | CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION | Authors: | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | Deposit date: | 2014-01-25 | Release date: | 2015-02-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
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4CQB
| The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, MALONATE ION, ... | Authors: | Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C. | Deposit date: | 2014-02-13 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc Plos One, 1, 2015
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4CP8
| Structure of the amidase domain of allophanate hydrolase from Pseudomonas sp strain ADP | Descriptor: | ALLOPHANATE HYDROLASE, MALONATE ION | Authors: | Balotra, S, Newman, J, French, N, French, L, Peat, T.S, Scott, C. | Deposit date: | 2014-02-03 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-Ray Structure of the Amidase Domain of Atzf, the Allophanate Hydrolase from the Cyanuric Acid-Mineralizing Multienzyme Complex. Appl.Environ.Microbiol., 81, 2015
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4CQD
| The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MALONATE ION, ... | Authors: | Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C. | Deposit date: | 2014-02-13 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc Plos One, 1, 2015
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4CNR
| Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture | Descriptor: | CARBONIC ANHYDRASE 2, ZINC ION | Authors: | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | Deposit date: | 2014-01-24 | Release date: | 2015-02-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
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4CYY
| The structure of vanin-1: defining the link between metabolic disease, oxidative stress and inflammation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PANTETHEINASE | Authors: | Boersma, Y.L, Newman, J, Adams, T.E, Sparrow, L, Cowieson, N, Lucent, D, Krippner, G, Bozaoglu, K, Peat, T.S. | Deposit date: | 2014-04-16 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | The Structure of Vanin-1: A Key Enzyme Linking Metabolic Disease and Inflammation Acta Crystallogr.,Sect.D, 70, 2014
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4BVS
| Cyanuric acid hydrolase: evolutionary innovation by structural concatenation. | Descriptor: | 1,3,5-triazine-2,4,6-triamine, CYANURIC ACID AMIDOHYDROLASE, MAGNESIUM ION | Authors: | Peat, T.S, Balotra, S, Wilding, M, French, N.G, Briggs, L.J, Panjikar, S, Cowieson, N, Newman, J, Scott, C. | Deposit date: | 2013-06-28 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Cyanuric Acid Hydrolase: Evolutionary Innovation by Structural Concatenation. Mol.Microbiol., 88, 2013
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4CYG
| The structure of vanin-1: defining the link between metabolic disease, oxidative stress and inflammation | Descriptor: | (2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Boersma, Y.L, Newman, J, Adams, T.E, Sparrow, L, Cowieson, N, Lucent, D, Krippner, G, Bozaoglu, K, Peat, T.S. | Deposit date: | 2014-04-11 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Structure of Vanin-1: A Key Enzyme Linking Metabolic Disease and Inflammation Acta Crystallogr.,Sect.D, 70, 2014
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4CYF
| The structure of vanin-1: defining the link between metabolic disease, oxidative stress and inflammation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PANTETHEINASE | Authors: | Boersma, Y.L, Newman, J, Adams, T.E, Sparrow, L, Cowieson, N, Lucent, D, Krippner, G, Bozaoglu, K, Peat, T.S. | Deposit date: | 2014-04-11 | Release date: | 2014-12-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Structure of Vanin-1: A Key Enzyme Linking Metabolic Disease and Inflammation Acta Crystallogr.,Sect.D, 70, 2014
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4BVQ
| Cyanuric acid hydrolase: evolutionary innovation by structural concatenation. | Descriptor: | CYANURIC ACID AMIDOHYDROLASE, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Peat, T.S, Balotra, S, Wilding, M, French, N.G, Briggs, L.J, Panjikar, S, Cowieson, N, Newman, J, Scott, C. | Deposit date: | 2013-06-28 | Release date: | 2013-07-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cyanuric Acid Hydrolase: Evolutionary Innovation by Structural Concatenation. Mol.Microbiol., 88, 2013
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4BVT
| Cyanuric acid hydrolase: evolutionary innovation by structural concatenation | Descriptor: | BARBITURIC ACID, CYANURIC ACID AMIDOHYDROLASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Peat, T.S, Balotra, S, Wilding, M, French, N.G, Briggs, L.J, Panjikar, S, Cowieson, N, Newman, J, Scott, C. | Deposit date: | 2013-06-28 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Cyanuric Acid Hydrolase: Evolutionary Innovation by Structural Concatenation. Mol.Microbiol., 88, 2013
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3QBC
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4WO1
| Crystal structure of the DAP12 transmembrane domain in lipid cubic phase | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, TYRO protein tyrosine kinase-binding protein | Authors: | Call, M.J, Call, M.E, Knoblich, K. | Deposit date: | 2014-10-15 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Transmembrane Complexes of DAP12 Crystallized in Lipid Membranes Provide Insights into Control of Oligomerization in Immunoreceptor Assembly. Cell Rep, 11, 2015
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1IZ8
| Re-refinement of the structure of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 with 1,3-propanediol, a product of debromidation of dibrompropane, at 2.0A resolution | Descriptor: | 1,3-PROPANDIOL, BROMIDE ION, CALCIUM ION, ... | Authors: | Streltsov, V.A. | Deposit date: | 2002-09-30 | Release date: | 2002-10-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates Biochemistry, 42, 2003
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2BFN
| The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane. | Descriptor: | (2S)-2,3-DICHLOROPROPAN-1-OL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Banas, P, Otyepka, M, Jerabek, P, Vevodova, J, Bohac, M, Damborsky, J. | Deposit date: | 2004-12-09 | Release date: | 2006-06-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Weak Activity of Haloalkane Dehalogenase Linb with 1,2,3-Trichloropropane Revealed by X-Ray Crystallography and Microcalorimetry Appl.Environ.Microbiol., 73, 2007
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6MAJ
| HBO1 is required for the maintenance of leukaemia stem cells | Descriptor: | 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ... | Authors: | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | Deposit date: | 2018-08-27 | Release date: | 2019-12-25 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.139 Å) | Cite: | HBO1 is required for the maintenance of leukaemia stem cells. Nature, 577, 2020
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6MAK
| HBO1 is required for the maintenance of leukaemia stem cells | Descriptor: | ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ... | Authors: | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | Deposit date: | 2018-08-27 | Release date: | 2019-12-25 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | HBO1 is required for the maintenance of leukaemia stem cells. Nature, 577, 2020
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3PN1
| Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-(butylsulfanyl)adenosine, DNA ligase | Authors: | Mills, S, Eakin, A, Buurman, E, Newman, J, Gao, N, Huynh, H, Johnson, K, Lahiri, S, Shapiro, A, Walkup, G, Wei, Y, Stokes, S. | Deposit date: | 2010-11-18 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo. Antimicrob.Agents Chemother., 55, 2011
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4AD6
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