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6SCE
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BU of 6sce by Molmil
Structure of a Type III CRISPR defence DNA nuclease activated by cyclic oligoadenylate
Descriptor: Uncharacterized protein, cyclic oligoadenylate
Authors:McMahon, S.A, Zhu, W, Graham, S, White, M.F, Gloster, T.M.
Deposit date:2019-07-24
Release date:2020-02-19
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure and mechanism of a Type III CRISPR defence DNA nuclease activated by cyclic oligoadenylate.
Nat Commun, 11, 2020
1YU4
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BU of 1yu4 by Molmil
Major Tropism Determinant U1 Variant
Descriptor: MAGNESIUM ION, Major Tropism Determinant (Mtd-U1)
Authors:McMahon, S.A, Miller, J.L, Lawton, J.A, Ghosh, P.
Deposit date:2005-02-11
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The C-type lectin fold as an evolutionary solution for massive sequence variation
Nat.Struct.Mol.Biol., 12, 2005
1YU1
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BU of 1yu1 by Molmil
Major Tropism Determinant P3c Variant
Descriptor: MAGNESIUM ION, METHYL MERCURY ION, Major Tropism Determinant (Mtd-P3c)
Authors:McMahon, S.A, Miller, J.L, Lawton, J.A, Ghosh, P.
Deposit date:2005-02-11
Release date:2005-09-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The C-type lectin fold as an evolutionary solution for massive sequence variation
Nat.Struct.Mol.Biol., 12, 2005
1YU0
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BU of 1yu0 by Molmil
Major Tropism Determinant P1 Variant
Descriptor: CALCIUM ION, Major Tropism Determinant (Mtd-P1)
Authors:McMahon, S.A, Miller, J.L, Lawton, J.A, Ghosh, P.
Deposit date:2005-02-11
Release date:2005-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The C-type lectin fold as an evolutionary solution for massive sequence variation
Nat.Struct.Mol.Biol., 12, 2005
1YU2
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BU of 1yu2 by Molmil
Major Tropism Determinant M1 Variant
Descriptor: MAGNESIUM ION, Major Tropism Determinant (Mtd-M1)
Authors:McMahon, S.A, Miller, J.L, Lawton, J.A, Ghosh, P.
Deposit date:2005-02-11
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The C-type lectin fold as an evolutionary solution for massive sequence variation
Nat.Struct.Mol.Biol., 12, 2005
1YU3
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BU of 1yu3 by Molmil
Major Tropism Determinant I1 Variant
Descriptor: MAGNESIUM ION, Major Tropism Determinant (Mtd-I1)
Authors:McMahon, S.A, Miller, J.L, Lawton, J.A, Ghosh, P.
Deposit date:2005-02-11
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The C-type lectin fold as an evolutionary solution for massive sequence variation
Nat.Struct.Mol.Biol., 12, 2005
4BQQ
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BU of 4bqq by Molmil
Protein crystal structure of the N-terminal and recombinase domains of the Streptomyces temperate phage serine recombinase, fC31 integrase.
Descriptor: INTEGRASE
Authors:McMahon, S.A, McEwan, A.R, Smith, M.C.M, Naismith, J.H.
Deposit date:2013-05-31
Release date:2013-06-12
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Protein Crystal Structure of the N-Terminal and Recombinase Domains of the Streptomyces Temperate Phage Serine Recombinase, Fc31 Integrase.
To be Published
2W82
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BU of 2w82 by Molmil
The structure of ArdA
Descriptor: ORF18
Authors:McMahon, S.A, Roberts, G.A, Carter, L.G, Cooper, L.P, Liu, H, White, J.H, Johnson, K.A, Sanghvi, B, Oke, M, Walkinshaw, M.D, Blakely, G, Naismith, J.H, Dryden, D.T.F.
Deposit date:2009-01-08
Release date:2009-01-27
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Extensive DNA Mimicry by the Arda Anti-Restriction Protein and its Role in the Spread of Antibiotic Resistance.
Nucleic Acids Res., 37, 2009
3FFE
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BU of 3ffe by Molmil
Structure of Achromobactin Synthetase Protein D, (AcsD)
Descriptor: AcsD
Authors:McMahon, S.A, Liu, H, Carter, L, Oke, M, Johnson, K.A, Schmelz, S, Challis, G.L, White, M.F, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF)
Deposit date:2008-12-03
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:AcsD catalyzes enantioselective citrate desymmetrization in siderophore biosynthesis
Nat.Chem.Biol., 5, 2009
6SCF
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BU of 6scf by Molmil
A viral anti-CRISPR subverts type III CRISPR immunity by rapid degradation of cyclic oligoadenylate
Descriptor: Uncharacterized protein, cyclic oligoadenylate
Authors:McMahon, S.A, Athukoralage, J.S, Graham, S, White, M.F, Gloster, T.M.
Deposit date:2019-07-24
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:An anti-CRISPR viral ring nuclease subverts type III CRISPR immunity.
Nature, 577, 2020
4AVR
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BU of 4avr by Molmil
Crystal structure of the hypothetical protein Pa4485 from Pseudomonas aeruginosa
Descriptor: PA4485
Authors:McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Alphey, M.S, Naismith, J.H.
Deposit date:2012-05-29
Release date:2013-01-09
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4AVF
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BU of 4avf by Molmil
Crystal structure of Pseudomonas aeruginosa inosine 5'-monophosphate dehydrogenase
Descriptor: INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE
Authors:McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Naismith, J.H.
Deposit date:2012-05-25
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
4CCV
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BU of 4ccv by Molmil
Crystal structure of histidine-rich glycoprotein N2 domain reveals redox activity at an interdomain disulfide bridge: Implications for the regulation of angiogenesis
Descriptor: GLUTATHIONE, GLYCEROL, HISTIDINE-RICH GLYCOPROTEIN, ...
Authors:McMahon, S.A, Kassaar, O, Stewart, A.J, Naismith, J.H.
Deposit date:2013-10-29
Release date:2014-02-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure of Histidine-Rich Glycoprotein N2 Domain Reveals Redox Activity at an Interdomain Disulfide Bridge: Implications for Angiogenic Regulation.
Blood, 123, 2014
4CQJ
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BU of 4cqj by Molmil
Fluorinase substrate flexibility enables last step aqueous and ambient 18F fluorination of a RGD peptide for positron emission tomography
Descriptor: 5'-FLUORO-5'-DEOXY-ADENOSINE SYNTHASE, 5'-deoxy-2-ethynyl-5'-fluoroadenosine
Authors:McMahon, S.A, Thompson, S, O'Hagan, D, Naismith, J.H.
Deposit date:2014-02-17
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structure of a Bacterial Fluorinating Enzyme with
To be Published
2WR8
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BU of 2wr8 by Molmil
Structure of Pyrococcus horikoshii SAM hydroxide adenosyltransferase in complex with SAH
Descriptor: PUTATIVE UNCHARACTERIZED PROTEIN PH0463, S-ADENOSYL-L-HOMOCYSTEINE
Authors:McMahon, S.A, Deng, H, O'Hagan, D, Johnson, K.A, Naismith, J.H.
Deposit date:2009-08-31
Release date:2009-09-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Mechanistic Insights Into Water Activation in Sam Hydroxide Adenosyltransferase (Duf-62).
Chembiochem, 10, 2009
8PE3
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BU of 8pe3 by Molmil
Structure of Csm6' from Streptococcus thermophilus in complex with cyclic hexa-adenylate (cA6)
Descriptor: CRISPR system endoribonuclease Csm6', Cyclic hexaadenosine monophosphate (cA6), RNA
Authors:McQuarrie, S.J, Athukoralage, J.S, McMahon, S.A, Graham, S, Ackerman, K, Bode, B.E, White, M.F, Gloster, T.M.
Deposit date:2023-06-13
Release date:2023-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Activation of Csm6 ribonuclease by cyclic nucleotide binding: in an emergency, twist to open.
Nucleic Acids Res., 51, 2023
8PCW
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BU of 8pcw by Molmil
Structure of Csm6' from Streptococcus thermophilus
Descriptor: CRISPR system endoribonuclease Csm6'
Authors:McQuarrie, S.J, Athukoralage, J.S, McMahon, S.A, Graham, S, Ackerman, K, Bode, B.E, White, M.F, Gloster, T.M.
Deposit date:2023-06-11
Release date:2023-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.54 Å)
Cite:Activation of Csm6 ribonuclease by cyclic nucleotide binding: in an emergency, twist to open.
Nucleic Acids Res., 51, 2023
6I6R
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BU of 6i6r by Molmil
New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes
Descriptor: (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ...
Authors:Gloster, T.M, McMahon, S.A, Oehler, V.
Deposit date:2018-11-15
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes.
Chemistry, 24, 2018
6I6X
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BU of 6i6x by Molmil
New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes
Descriptor: (1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gloster, T.M, McMahon, S.A, Oehler, V.
Deposit date:2018-11-15
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes.
Chemistry, 24, 2018
5FIU
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BU of 5fiu by Molmil
Binding and structural studies of a 5,5-difluoromethyl adenosine nucleoside with the fluorinase enzyme
Descriptor: 5'-FLUORO-5'-DEOXY-ADENOSINE SYNTHASE, 5,5-DIFLUOROMETHYL ADENOSINE, L(+)-TARTARIC ACID
Authors:Thompson, S, McMahon, S.A, Naismith, J.H, O'Hagan, D.
Deposit date:2015-10-02
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Exploration of a Potential Difluoromethyl-Nucleoside Substrate with the Fluorinase Enzyme.
Bioorg.Chem., 64, 2015
6ZZO
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BU of 6zzo by Molmil
Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Psychrobacter arcticus complexed with NAD+ and acetoacetate
Descriptor: ACETOACETIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative beta-hydroxybutyrate dehydrogenase
Authors:Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V.
Deposit date:2020-08-04
Release date:2020-10-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
6ZZS
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BU of 6zzs by Molmil
Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Acinetobacter baumannii complexed with NAD+ and 3-oxovalerate
Descriptor: 3-hydroxybutyrate dehydrogenase, 3-oxidanylidenepentanoic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V.
Deposit date:2020-08-05
Release date:2020-10-07
Last modified:2021-01-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
6ZZP
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BU of 6zzp by Molmil
Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Psychrobacter arcticus complexed with NAD+ and 3-oxovalerate
Descriptor: 3-oxidanylidenepentanoic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative beta-hydroxybutyrate dehydrogenase
Authors:Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V.
Deposit date:2020-08-04
Release date:2020-10-07
Last modified:2021-01-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
6ZZQ
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BU of 6zzq by Molmil
Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Acinetobacter baumannii complexed with NAD+ and acetoacetate
Descriptor: 3-hydroxybutyrate dehydrogenase, ACETOACETIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V.
Deposit date:2020-08-05
Release date:2020-10-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
7BDV
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BU of 7bdv by Molmil
Structure of Can2 from Sulfobacillus thermosulfidooxidans in complex with cyclic tetra-adenylate (cA4)
Descriptor: Can2, Cyclic tetraadenosine monophosphate (cA4)
Authors:McQuarrie, S, McMahon, S.A, Gloster, T.M, White, M.F, Graham, S, Zhu, W, Gruschow, S.
Deposit date:2020-12-22
Release date:2021-03-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The CRISPR ancillary effector Can2 is a dual-specificity nuclease potentiating type III CRISPR defence.
Nucleic Acids Res., 49, 2021

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