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Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex tetraguluronic acid at pH 8
Descriptor:	Alginate lyase family protein, SULFATE ION, alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid
Authors:	Tandrup, T, Wilkens, C.
Deposit date:	2024-05-28
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (2.54 Å)
Cite:	The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota. J.Am.Chem.Soc., 2025

9FHV

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex pentasaccharide (ManGul)3 at pH 3.5
Descriptor:	Alginate lyase family protein, SULFATE ION, beta-D-mannopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:	Tandrup, T, Wilkens, C.
Deposit date:	2024-05-28
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (2.34 Å)
Cite:	The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota. J.Am.Chem.Soc., 2025

9FHX

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex tetramannuronic acid at pH 8
Descriptor:	Alginate lyase family protein, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:	Tandrup, T, Wilkens, C.
Deposit date:	2024-05-28
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (2.12 Å)
Cite:	The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota. J.Am.Chem.Soc., 2025

9FHY

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex with an unsaturated mannuronic acid tetramer at pH 3.5
Descriptor:	4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, Alginate lyase family protein, SULFATE ION
Authors:	Tandrup, T, Wilkens, C.
Deposit date:	2024-05-28
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (1.76 Å)
Cite:	The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota. J.Am.Chem.Soc., 2025

9FHZ

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex unsaturated guluronic acid tetramer at pH 3.5
Descriptor:	4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, Alginate lyase family protein, ...
Authors:	Tandrup, T, Wilkens, C.
Deposit date:	2024-05-28
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (1.88 Å)
Cite:	The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota. J.Am.Chem.Soc., 2025

9FI0

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant D108N
Descriptor:	Alginate lyase family protein
Authors:	Tandrup, T, Wilkens, C.
Deposit date:	2024-05-28
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (1.86 Å)
Cite:	The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota. J.Am.Chem.Soc., 2025

9FI2

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant N242A at pH 3.5
Descriptor:	Alginate lyase family protein
Authors:	Tandrup, T, Wilkens, C.
Deposit date:	2024-05-28
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (2.57 Å)
Cite:	The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota. J.Am.Chem.Soc., 2025

9FI1

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant H297N at pH 3.5
Descriptor:	Alginate lyase family protein, SULFATE ION
Authors:	Tandrup, T, Wilkens, C.
Deposit date:	2024-05-28
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (2.36 Å)
Cite:	The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota. J.Am.Chem.Soc., 2025

9FI3

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant Q173N in complex with tetraguluronic acid at pH 3.5
Descriptor:	Alginate lyase family protein, SULFATE ION
Authors:	Tandrup, T, Wilkens, C.
Deposit date:	2024-05-28
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (1.99 Å)
Cite:	The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota. J.Am.Chem.Soc., 2025

9FI6

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant Y91F+Y298F in complex with tetramannuronic acid at pH 3.5
Descriptor:	Alginate lyase family protein, SULFATE ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:	Tandrup, T, Wilkens, C.
Deposit date:	2024-05-28
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (2.18 Å)
Cite:	The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota. J.Am.Chem.Soc., 2025

8I5P

Crystal structure of TxGH116 D593A acid/base mutant from Thermoanaerobacterium xylanolyticum with cellobiose
Descriptor:	2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:	Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:	2023-01-26
Release date:	2023-05-03
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2.35 Å)
Cite:	Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation. Acs Catalysis, 13, 2023

8I5O

Crystal structure of TxGH116 D593A acid/base mutant from Thermoanaerobacterium xylanolyticum
Descriptor:	CALCIUM ION, GLYCEROL, beta-glucosidase
Authors:	Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:	2023-01-26
Release date:	2023-05-03
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation. Acs Catalysis, 13, 2023

8I5Q

Crystal structure of TxGH116 D593A acid/base mutant from Thermoanaerobacterium xylanolyticum with laminaribiose
Descriptor:	2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:	Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:	2023-01-26
Release date:	2023-05-03
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation. Acs Catalysis, 13, 2023

8I5S

Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with 2-deoxy-2-fluoroglucoside
Descriptor:	1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, ...
Authors:	Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:	2023-01-26
Release date:	2023-05-03
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.45 Å)
Cite:	Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation. Acs Catalysis, 13, 2023

8I5R

Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum
Descriptor:	1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:	Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:	2023-01-26
Release date:	2023-05-03
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.65 Å)
Cite:	Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation. Acs Catalysis, 13, 2023

8I5T

Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with cellobiose
Descriptor:	1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:	Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:	2023-01-26
Release date:	2023-05-03
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.5 Å)
Cite:	Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation. Acs Catalysis, 13, 2023

8I5U

Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with laminaribiose
Descriptor:	1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:	Pengthaisong, S, Ketudat Cairns, J.R.
Deposit date:	2023-01-26
Release date:	2023-05-03
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.4 Å)
Cite:	Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation. Acs Catalysis, 13, 2023

8PN5

Crystal structure of the HC7-Glu200Ala mutant complexed to a triglycopeptide
Descriptor:	2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-alpha-D-galactopyranose, DUF3472 domain-containing protein, ...
Authors:	Taleb, V, Hurtado-Guerrero, R.
Deposit date:	2023-06-29
Release date:	2024-03-06
Last modified:	2024-11-06
Method:	X-RAY DIFFRACTION (1.72 Å)
Cite:	A family of di-glutamate mucin-degrading enzymes that bridges glycan hydrolases and peptidases Nat Catal, 2024

8PN3

Crystal structure of the HC7-Glu200Ala mutant complexed to a tetraglycopeptide.
Descriptor:	2-acetamido-2-deoxy-alpha-D-galactopyranose, DUF3472 domain-containing protein, GLYCEROL, ...
Authors:	Taleb, V, Hurtado-Guerrero, R.
Deposit date:	2023-06-29
Release date:	2024-03-06
Last modified:	2024-11-06
Method:	X-RAY DIFFRACTION (1.44 Å)
Cite:	A family of di-glutamate mucin-degrading enzymes that bridges glycan hydrolases and peptidases Nat Catal, 2024

8PMU

Crystal structure of the HC7 apo form
Descriptor:	DUF3472 domain-containing protein, GLYCEROL
Authors:	Taleb, V, Hurtado-Guerrero, R.
Deposit date:	2023-06-29
Release date:	2024-03-06
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	A family of di-glutamate mucin-degrading enzymes that bridges glycan hydrolases and peptidases Nat Catal, 2024

6XN0

Crystal structure of GH43_1 enzyme from Xanthomonas citri
Descriptor:	CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:	Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
Deposit date:	2020-07-02
Release date:	2020-12-02
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.709 Å)
Cite:	Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations. Nat Commun, 12, 2021

6XN1

Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylose
Descriptor:	CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:	Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
Deposit date:	2020-07-02
Release date:	2020-12-02
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations. Nat Commun, 12, 2021

6XN2

Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylotriose
Descriptor:	CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:	Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
Deposit date:	2020-07-02
Release date:	2020-12-02
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.652 Å)
Cite:	Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations. Nat Commun, 12, 2021

5SYK

Crystal structure of B. pseudomallei KatG treated with hydrogen peroxide
Descriptor:	(4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:	Loewen, P.C.
Deposit date:	2016-08-11
Release date:	2016-09-21
Last modified:	2023-11-15
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	An ionizable active-site tryptophan imparts catalase activity to a peroxidase core. J. Am. Chem. Soc., 136, 2014

5SYV

Crystal structure of Burkholderia pseudomallei KatG N240D variant
Descriptor:	(4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:	Loewen, P.C.
Deposit date:	2016-08-12
Release date:	2016-09-14
Last modified:	2023-11-15
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine. Biochemistry, 56, 2017

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