7ZAZ
 
 | | macrocyclase OphP with ZPP | | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Song, H, Naismith, J.H. | | Deposit date: | 2022-03-23 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
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7ZB2
 | | apo macrocyclase OphP | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Song, H, Naismith, J.H. | | Deposit date: | 2022-03-23 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
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7ZB0
 | | macrocyclase OphP with 15mer | | Descriptor: | 1,2-ETHANEDIOL, 15mer, BICARBONATE ION, ... | | Authors: | Song, H, Naismith, J.H. | | Deposit date: | 2022-03-23 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
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7ZB1
 | | S580A with 18mer | | Descriptor: | 1,2-ETHANEDIOL, 18mer, BICARBONATE ION, ... | | Authors: | Song, H, Naismith, J.H. | | Deposit date: | 2022-03-23 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
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7BSC
 | | Complex structure of 1G5.3 Fab bound to DENV2 NS1c | | Descriptor: | 1G5.3 Fab Heavy Chain, 1G5.3 Fab Light Chain, Non-structural protein 1 | | Authors: | Song, H, Qi, J, Gao, F.G. | | Deposit date: | 2020-03-30 | | Release date: | 2020-12-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | A broadly protective antibody that targets the flavivirus NS1 protein.
Science, 371, 2021
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7BSD
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6SJ4
 | | Amidohydrolase, AHS with substrate analog | | Descriptor: | 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)carbonyloxybenzoic acid, Amidohydrolase, ... | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | 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., 59, 2020
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5N0O
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5N0Q
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5N0P
 | | Crystal structure of OphA-DeltaC18 in complex with SAH | | Descriptor: | 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, peptide N-methyltranferase | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2017-02-03 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
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6SJ2
 | | Amidohydrolase, AHS with 3-HAA | | Descriptor: | 3-HYDROXYANTHRANILIC ACID, Amidohydrolase, GLYCEROL, ... | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-15 | | 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., 59, 2020
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6SJ1
 | | Amidohydrolase, AHS | | Descriptor: | Amidohydrolase, ZINC ION | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | 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., 59, 2020
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6SIZ
 | | PaaK family AMP-ligase with ANP and substrate | | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXYANTHRANILIC ACID, AMP-dependent synthetase and ligase, ... | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | 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., 59, 2020
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6SJ3
 | | Amidohydrolase, AHS with 3-HBA | | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXYBENZOIC ACID, Amidohydrolase, ... | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | 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., 59, 2020
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6SJ0
 | | Amidohydrolase, AHS | | Descriptor: | Amidohydrolase, BICARBONATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-15 | | 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., 59, 2020
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6SIY
 | | PaaK family AMP-ligase with AMP and substrate | | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXYANTHRANILIC ACID, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | 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., 59, 2020
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6SIW
 | | PaaK family AMP-ligase with AMP | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-15 | | 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., 59, 2020
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6SIX
 | | PaaK family AMP-ligase with ANP | | Descriptor: | 1,2-ETHANEDIOL, AMP-dependent synthetase and ligase, CITRATE ANION, ... | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-15 | | 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., 59, 2020
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6TM4
 | | NatL2 in complex with two molecules of salicylic acid | | Descriptor: | 2-HYDROXYBENZOIC ACID, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-12-03 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | 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., 59, 2020
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7NEF
 | | Fucosylated linear peptide Fln65 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.5 Angstrom resolution | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fln65, ... | | Authors: | Personne, H, Baeriswyl, S, Stocker, A, Reymond, J.-L. | | Deposit date: | 2021-02-03 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
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7NEW
 | | Fucosylated heterochiral linear peptide Fdln69 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 2.0 Angstrom resolution | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ... | | Authors: | Personne, H, Baeriswyl, S, Stocker, A, Reymond, J.-L. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
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5O2W
 | | Extended catalytic domain of Hypocrea jecorina LPMO 9A. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Glycoside hydrolase family 61, ... | | Authors: | Karkehabadi, S, Hansson, H, Sandgren, M, Mikelssen, N.E. | | Deposit date: | 2017-05-23 | | Release date: | 2017-09-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-resolution structure of a lytic polysaccharide monooxygenase from Hypocrea jecorina reveals a predicted linker as an integral part of the catalytic domain.
J. Biol. Chem., 292, 2017
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5VAG
 | | Crystal structure of H7-specific antibody m826 in complex with the HA1 domain of hemagglutinin from H7N9 influenza virus | | Descriptor: | 1,2-ETHANEDIOL, Heavy chain of antibody m826, Hemagglutinin, ... | | Authors: | Song, H, Ying, T, Ji, X. | | Deposit date: | 2017-03-26 | | Release date: | 2017-12-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Potent Germline-like Human Monoclonal Antibody Targets a pH-Sensitive Epitope on H7N9 Influenza Hemagglutinin.
Cell Host Microbe, 22, 2017
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5D6M
 | | Mn(II)-loaded MnCcP.1 | | Descriptor: | Cytochrome c peroxidase, mitochondrial, MANGANESE (II) ION, ... | | Authors: | Robinson, H, Gao, Y.-G, Hosseinzadeh, P, Lu, Y. | | Deposit date: | 2015-08-12 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Enhancing Mn(II)-Binding and Manganese Peroxidase Activity in a Designed Cytochrome c Peroxidase through Fine-Tuning Secondary-Sphere Interactions.
Biochemistry, 55, 2016
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3PJW
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