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4CYY
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BU of 4cyy by Molmil
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
4CYG
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BU of 4cyg by Molmil
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
4CYF
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BU of 4cyf by Molmil
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
4CNW
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BU of 4cnw by Molmil
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
4CQC
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BU of 4cqc by Molmil
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
4CNX
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BU of 4cnx by Molmil
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
4CNV
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BU of 4cnv by Molmil
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
4CNR
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BU of 4cnr by Molmil
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
4CP8
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BU of 4cp8 by Molmil
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
4CQD
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BU of 4cqd by Molmil
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
4CQB
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BU of 4cqb by Molmil
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
4B2G
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BU of 4b2g by Molmil
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:2019-05-08
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
4BVR
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BU of 4bvr by Molmil
Cyanuric acid hydrolase: evolutionary innovation by structural concatenation.
Descriptor: 1,3,5-triazine-2,4,6-triol, 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 (2.58 Å)
Cite:Cyanuric Acid Hydrolase: Evolutionary Innovation by Structural Concatenation.
Mol.Microbiol., 88, 2013
4BVS
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BU of 4bvs by Molmil
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
4BVT
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BU of 4bvt by Molmil
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
4BVQ
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BU of 4bvq by Molmil
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
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cyanuric Acid Hydrolase: Evolutionary Innovation by Structural Concatenation.
Mol.Microbiol., 88, 2013
5TI8
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BU of 5ti8 by Molmil
Crystal Structure of an aspartate aminotransferase from Pseudomonas
Descriptor: Aminotransferase, CALCIUM ION
Authors:Peat, T.S, Newman, J.
Deposit date:2016-10-01
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of a putrescine aminotransferase from Pseudomonas sp. strain AAC.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6MAJ
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BU of 6maj by Molmil
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
6MAK
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BU of 6mak by Molmil
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
3QBC
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BU of 3qbc by Molmil
Structure and design of a new pterin site inhibitor of S. aureus HPPK
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one
Authors:Peat, T.S, Chhabra, S, Swarbrick, J.D.
Deposit date:2011-01-12
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of S. aureus HPPK and the discovery of a new substrate site inhibitor
Plos One, 7, 2012
3PN1
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BU of 3pn1 by Molmil
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
6XA9
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BU of 6xa9 by Molmil
SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide
Descriptor: GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ...
Authors:Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
Deposit date:2020-06-04
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
6XAA
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BU of 6xaa by Molmil
SARS CoV-2 PLpro in complex with ubiquitin propargylamide
Descriptor: Non-structural protein 3, Ubiquitin-propargylamide, ZINC ION
Authors:Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
Deposit date:2020-06-04
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
7PSP
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BU of 7psp by Molmil
Crystal structure of S100A4 labeled with NU000846b.
Descriptor: (2R,4R)-1-(2-chloranylethanoyl)-N-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, CALCIUM ION, Protein S100-A4
Authors:Giroud, C, Szommer, T, Coxon, C, Monteiro, O, Christott, T, Bennett, J, Aitmakhanova, K, Raux, B, Newman, J, Elkins, J, Arruda Bezerra, G, Krojer, T, Koekemoer, L, Von Delft, F, Bountr, C, Brennan, P, Fedorov, O.
Deposit date:2021-09-23
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure of S100A4 labeled with NU000846b.
To Be Published
1IZ7
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BU of 1iz7 by Molmil
Re-refinement of the structure of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 AT 1.6 A resolution
Descriptor: CALCIUM ION, CHLORIDE ION, HALOALKANE DEHALOGENASE, ...
Authors:Streltsov, V.A.
Deposit date:2002-09-30
Release date:2002-10-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.58 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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PDB entries from 2024-05-01

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