Author results

6TM4
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NATL2 IN COMPLEX WITH TWO MOLECULES OF SALICYLIC ACID
Descriptor:PaaK-like ligase (AMP-dependent synthetase and ligase), 2-HYDROXYBENZOIC ACID, ZINC ION, ...
Authors:Naismith, J.H., Song, H.
Deposit date:2019-12-03
Release date:2020-01-15
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 2020
6SSD
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TRANSAMINASE WITH PLP BOUND
Descriptor:ForI-PLP, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Naismith, J.H., Gao, S.
Deposit date:2019-09-06
Release date:2020-01-15
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis.
Chem.Commun.(Camb.), 55, 2019
6SSE
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TRANSAMINASE WITH PMP BOUND
Descriptor:ForI-PMP, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Naismith, J.H., Gao, S.
Deposit date:2019-09-06
Release date:2020-01-15
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis.
Chem.Commun.(Camb.), 55, 2019
6SSF
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TRANSAMINASE WITH LCS BOUND
Descriptor:ForI-LCS, SULFATE ION, [4-[(~{Z})-[(2~{S},5~{S})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
Authors:Naismith, J.H., Gao, S.
Deposit date:2019-09-06
Release date:2020-01-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis.
Chem.Commun.(Camb.), 55, 2019
6SSG
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TRANSAMINASE WITH DCS BOUND
Descriptor:ForI-DCS, [4-[(~{Z})-[(2~{R},5~{R})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate, SULFATE ION
Authors:Naismith, J.H., Gao, S.
Deposit date:2019-09-06
Release date:2020-01-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis.
Chem.Commun.(Camb.), 55, 2019
6SIW
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PAAK FAMILY AMP-LIGASE WITH AMP
Descriptor:PaaK-like ligase (AMP-dependent synthetase and ligase), ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Naismith, J.H., Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 2020
6SIX
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PAAK FAMILY AMP-LIGASE WITH ANP
Descriptor:AMP-dependent synthetase and ligase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ZINC ION, ...
Authors:Naismith, J.H., Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 2020
6SIY
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PAAK FAMILY AMP-LIGASE WITH AMP AND SUBSTRATE
Descriptor:AMP-dependent synthetase and ligase, 3-HYDROXYANTHRANILIC ACID, ADENOSINE MONOPHOSPHATE, ...
Authors:Naismith, J.H., Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 2020
6SIZ
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PAAK FAMILY AMP-LIGASE WITH ANP AND SUBSTRATE
Descriptor:AMP-dependent synthetase and ligase, ZINC ION, 3-HYDROXYANTHRANILIC ACID, ...
Authors:Naismith, J.H., Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 2020
6SJ0
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AMIDOHYDROLASE, AHS
Descriptor:Amidohydrolase, BICARBONATE ION, SULFATE ION, ...
Authors:Naismith, J.H., Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 2020
6SJ1
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AMIDOHYDROLASE, AHS
Descriptor:Amidohydrolase, ZINC ION
Authors:Naismith, J.H., Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 2020
6SJ2
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AMIDOHYDROLASE, AHS WITH 3-HAA
Descriptor:Amidohydrolase, 3-HYDROXYANTHRANILIC ACID, ZINC ION, ...
Authors:Naismith, J.H., Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 2020
6SJ3
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AMIDOHYDROLASE, AHS WITH 3-HBA
Descriptor:Amidohydrolase, 3-HYDROXYBENZOIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Naismith, J.H., Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 2020
6SJ4
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AMIDOHYDROLASE, AHS WITH SUBSTRATE ANALOG
Descriptor:Amidohydrolase, 3-(3-hydroxyphenyl)carbonyloxybenzoic acid, TRIETHYLENE GLYCOL, ...
Authors:Naismith, J.H., Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 2020
6R1F
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CRYSTAL STRUCTURE OF THE FERRIC ENTEROBACTIN RECEPTOR MUTANT R480A FROM PSEUDOMONAS AERUGINOSA (PFEA) IN COMPLEX WITH ENTEROBACTIN
Descriptor:Ferric enterobactin receptor, FE (III) ION, N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)
Authors:Moynie, L., Naismith, J.H.
Deposit date:2019-03-14
Release date:2019-04-10
Last modified:2019-08-28
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
6QZY
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FULL LENGTH OPHA V406P IN COMPLEX WITH SAH
Descriptor:Peptide N-methyltransferase, ASN-GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-PRO-ILE-GLY, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Song, H., Naismith, J.H.
Deposit date:2019-03-12
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:full length OphA V404E in complex with SAH
To Be Published
6QZZ
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FULL LENGTH OPHA V404E IN COMPLEX WITH SAH
Descriptor:Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H., Naismith, J.H.
Deposit date:2019-03-12
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:full length OphA V404E in complex with SAH
To Be Published
6R00
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OPHA DELTAC6 V404F COMPLEX WITH SAH
Descriptor:Peptide N-methyltransferase, PHE-PRO-TRP-MVA-ILE-MVA-PHE-GLY-VAL-ILE-GLY-VAL-ILE-GLY, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H., Naismith, J.H.
Deposit date:2019-03-12
Release date:2020-04-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:full length OphA V404E in complex with SAH
To Be Published
6QGM
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VIRX1 APO STRUCTURE
Descriptor:VirX1
Authors:Gkotsi, D.S., Ludewig, H., Sharma, S.V., Unsworth, W.P., Taylor, R.J.K., McLachlan, M.M.W., Shanahan, S., Naismith, J.H., Goss, R.J.M.
Deposit date:2019-01-11
Release date:2019-10-30
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A marine viral halogenase that iodinates diverse substrates.
Nat.Chem., 11, 2019
6Q5E
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CRYSTAL STRUCTURE OF THE FERRIC ENTEROBACTIN RECEPTOR FROM PSEUDOMONAS AERUGINOSA (PFEA) IN COMPLEX WITH ENTEROBACTIN
Descriptor:Ferric enterobactin receptor, FE (III) ION, N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide), ...
Authors:Moynie, L., Naismith, J.H.
Deposit date:2018-12-07
Release date:2019-01-16
Last modified:2019-08-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
6I2J
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CRYSTAL STRUCTURE OF THE FERRIC ENTEROBACTIN RECEPTOR MUTANT (Q482A) FROM PSEUDOMONAS AERUGINOSA (PFEA) IN COMPLEX WITH ENTEROBACTIN
Descriptor:Ferric enterobactin receptor, FE (III) ION, N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)
Authors:Moynie, L., Naismith, J.H.
Deposit date:2018-11-01
Release date:2019-01-16
Last modified:2019-08-28
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
6INF
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A GLYCOSYLTRANSFERASE COMPLEX WITH UDP
Descriptor:UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
Authors:Zhu, X., Yang, T., Naismith, J.H.
Deposit date:2018-10-25
Release date:2019-07-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6ING
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A COMPLEX STRUCTURE OF H25A MUTANT OF GLYCOSYLTRANSFERASE WITH UDP
Descriptor:UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE, GLYCEROL
Authors:Zhu, X., Naismith, J.H.
Deposit date:2018-10-25
Release date:2019-07-31
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6INH
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A GLYCOSYLTRANSFERASE WITH UDP AND THE SUBSTRATE
Descriptor:UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE, 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, ...
Authors:Zhu, X.
Deposit date:2018-10-25
Release date:2019-07-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6INI
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A GLYCOSYLTRANSFERASE COMPLEX WITH UDP AND THE PRODUCT
Descriptor:UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Zhu, X., Yang, T., Naismith, J.H.
Deposit date:2018-10-25
Release date:2019-07-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019