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7SNJ
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BU of 7snj by Molmil
Structure of Bacple_01701, a 6-O-galactose porphyran sulfatase
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Arylsulfatase, ...
Authors:Ulaganathan, T, Cygler, M.
Deposit date:2021-10-28
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
7SNK
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BU of 7snk by Molmil
Structure of Bacple_01702, a GH29 family glycoside hydrolase
Descriptor: Alpha-L-fucosidase, PHOSPHATE ION, POTASSIUM ION
Authors:Ulaganathan, T, Cygler, M.
Deposit date:2021-10-28
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
7XDQ
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BU of 7xdq by Molmil
Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens
Descriptor: Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose
Authors:Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2022-03-28
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
7XDR
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BU of 7xdr by Molmil
Crystal structure of a glucosylglycerol phosphorylase from Marinobacter adhaerens
Descriptor: Glucosylglycerol phosphorylase
Authors:Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2022-03-28
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
9ERV
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BU of 9erv by Molmil
Structure of Salmonella CapRel bound to Bas11 Gp54
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, GP54, ...
Authors:Garcia-Pino, A.
Deposit date:2024-03-25
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:A bacterial immunity protein directly senses two disparate phage proteins.
Nature, 635, 2024
7ZTB
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BU of 7ztb by Molmil
Structure of the Salmonella tRNA pyrophosphokinase CapRel
Descriptor: CHLORIDE ION, RelA/SpoT family protein, SODIUM ION
Authors:Garcia-Pino, A.
Deposit date:2022-05-09
Release date:2022-11-23
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:Direct activation of a bacterial innate immune system by a viral capsid protein.
Nature, 612, 2022
7X98
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BU of 7x98 by Molmil
5-Aminolevulinate synthase HemA from Rhodopseudomonas palustris
Descriptor: 5-aminolevulinate synthase
Authors:Zhang, T.T, Liu, H.P.
Deposit date:2022-03-15
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of 5-Aminolevulinate synthase HemA from Rhodopseudomonas palustris presents multiple conformations.
Biochem.Biophys.Res.Commun., 609, 2022
5UAS
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BU of 5uas by Molmil
Structure of a new family of Polysaccharide lyase PL25-Ulvanlyase bound to -[GlcA(1-4)Rha3S]-
Descriptor: 1,2-ETHANEDIOL, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose, CHLORIDE ION, ...
Authors:Ulaganathan, T.S, Cygler, M.
Deposit date:2016-12-20
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:New Ulvan-Degrading Polysaccharide Lyase Family: Structure and Catalytic Mechanism Suggests Convergent Evolution of Active Site Architecture.
ACS Chem. Biol., 12, 2017
5UAM
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BU of 5uam by Molmil
Structure of a new family of Polysaccharide lyase PL25-Ulvanlyase.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Ulaganathan, T.S, Boniecki, M.T, Cygler, M.
Deposit date:2016-12-19
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:New Ulvan-Degrading Polysaccharide Lyase Family: Structure and Catalytic Mechanism Suggests Convergent Evolution of Active Site Architecture.
ACS Chem. Biol., 12, 2017
6UVU
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BU of 6uvu by Molmil
Crystal structure of the AntR antimony-specific transcriptional repressor
Descriptor: ArsR family transcriptional regulator
Authors:Thiruselvam, V, Banumathi, S, Palani, K, Manohar, R, Rosen, B.P.
Deposit date:2019-11-04
Release date:2020-11-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional and structural characterization of AntR, an Sb(III) responsive transcriptional repressor.
Mol.Microbiol., 116, 2021
5JMD
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BU of 5jmd by Molmil
Heparinase III-BT4657 gene product, Methylated Lysines
Descriptor: Heparinase III protein, MAGNESIUM ION
Authors:Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M.
Deposit date:2016-04-28
Release date:2016-05-25
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657).
Glycobiology, 27, 2017
5JMF
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BU of 5jmf by Molmil
Heparinase III-BT4657 gene product
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Heparinase III protein, ...
Authors:Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M.
Deposit date:2016-04-28
Release date:2016-05-25
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657).
Glycobiology, 27, 2017
8EW1
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BU of 8ew1 by Molmil
Structure of Bacple_01703-E145L
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Ulaganathan, T, Cygler, M.
Deposit date:2022-10-21
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
6BYT
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BU of 6byt by Molmil
Complex structure of LOR107 mutant (R320) with tetrasaccharide substrate
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Ulaganathan, T.S, Cygler, M.
Deposit date:2017-12-21
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-function analyses of a PL24 family ulvan lyase reveal key features and suggest its catalytic mechanism.
J. Biol. Chem., 293, 2018
8EP4
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BU of 8ep4 by Molmil
Structure of Bacple_01703
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
Authors:Ulaganathan, T, Cygler, M.
Deposit date:2022-10-05
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
3V6R
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BU of 3v6r by Molmil
Discovery of potent and selective covalent inhibitors of JNK
Descriptor: 4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, LoGrasso, P.V, Laughlin, J.D.
Deposit date:2011-12-20
Release date:2012-02-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
3V6S
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BU of 3v6s by Molmil
Discovery of potent and selective covalent inhibitors of JNK
Descriptor: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, Laughlin, J.D, LoGrasso, P.V.
Deposit date:2011-12-20
Release date:2012-02-01
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
6BYP
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BU of 6byp by Molmil
Structure of PL24 family Polysaccharide lyase-LOR107
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Ulaganathan, T.S, Cygler, M.
Deposit date:2017-12-21
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function analyses of a PL24 family ulvan lyase reveal key features and suggest its catalytic mechanism.
J. Biol. Chem., 293, 2018
9M3O
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BU of 9m3o by Molmil
Crystal structure of human pyruvate dehydrogenase kinase isoform 1 in complex with ATP competitive inhibitor 8
Descriptor: 6-fluoranyl-8-(methylamino)-N-(pyrimidin-5-ylmethyl)-9H-pyrido[2,3-b]indole-3-carboxamide, GLYCEROL, POTASSIUM ION, ...
Authors:Xu, Z.H, Chen, S.
Deposit date:2025-03-03
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Discovery of ATP competitive PDHK1/2 dual inhibitors.
Bioorg.Med.Chem.Lett., 122, 2025
9M3P
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BU of 9m3p by Molmil
Crystal structure of human pyruvate dehydrogenase kinase isoform 1 in complex with ATP competitive inhibitor 3
Descriptor: GLYCEROL, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, POTASSIUM ION, ...
Authors:Xu, Z.H, Chen, S.
Deposit date:2025-03-03
Release date:2025-04-02
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of ATP competitive PDHK1/2 dual inhibitors.
Bioorg.Med.Chem.Lett., 122, 2025
8IW9
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BU of 8iw9 by Molmil
Cryo-EM structure of the CAD-bound mTAAR9-Gs complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
Deposit date:2023-03-29
Release date:2023-05-31
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IW4
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BU of 8iw4 by Molmil
Cryo-EM structure of the SPE-bound mTAAR9-Gs complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
Deposit date:2023-03-29
Release date:2023-05-31
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IW7
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BU of 8iw7 by Molmil
Cryo-EM structure of the PEA-bound mTAAR9-Gs complex
Descriptor: 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
Deposit date:2023-03-29
Release date:2023-05-31
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8ITF
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BU of 8itf by Molmil
Cryo-EM structure of the DMCHA-bound mTAAR9-Gs complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
Deposit date:2023-03-22
Release date:2023-05-31
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IWE
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BU of 8iwe by Molmil
Cryo-EM structure of the SPE-mTAAR9 complex
Descriptor: SPERMIDINE, Trace amine-associated receptor 9
Authors:Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
Deposit date:2023-03-29
Release date:2023-05-31
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023

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