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6PSM
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BU of 6psm by Molmil
Crystal structure of PsS1_19B C77S in complex with kappa-neocarrabiose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-D-galactose, 4-O-sulfo-beta-D-galactopyranose, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2019-07-12
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
6PT9
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BU of 6pt9 by Molmil
Crystal structure of PsS1_NC C84S in complex with k-neocarrabiose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-D-galactose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2019-07-15
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
6PT4
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BU of 6pt4 by Molmil
Crystal structure of apo PsS1_NC
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2019-07-14
Release date:2019-09-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
6PTM
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BU of 6ptm by Molmil
Crystal structure of apo exo-carrageenase GH42 from Bacteroides ovatus
Descriptor: 1,2-ETHANEDIOL, Uncharacterized protein
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2019-07-16
Release date:2019-09-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
6PSO
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BU of 6pso by Molmil
Crystal structure of PsS1_19B C77S in complex with iota-neocarratetraose
Descriptor: 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2019-07-13
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
6PT6
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BU of 6pt6 by Molmil
Crystal structure of PsS1_NC C84S in complex with i-neocarratetraose
Descriptor: 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, exo-2S-iota carrageenan S1 sulfatase
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2019-07-15
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
5GQC
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BU of 5gqc by Molmil
Crystal structure of lacto-N-biosidase LnbX from Bifidobacterium longum subsp. longum, ligand-free form
Descriptor: CALCIUM ION, Lacto-N-biosidase, SODIUM ION
Authors:Yamada, C, Arakawa, T, Katayama, T, Fushinobu, S.
Deposit date:2016-08-07
Release date:2017-04-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Molecular Insight into Evolution of Symbiosis between Breast-Fed Infants and a Member of the Human Gut Microbiome Bifidobacterium longum
Cell Chem Biol, 24, 2017
5GQG
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BU of 5gqg by Molmil
Crystal structure of lacto-N-biosidase LnbX from Bifidobacterium longum subsp. longum, galacto-N-biose complex
Descriptor: CALCIUM ION, Lacto-N-biosidase, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
Authors:Yamada, C, Arakawa, T, Katayama, T, Fushinobu, S.
Deposit date:2016-08-07
Release date:2017-04-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Insight into Evolution of Symbiosis between Breast-Fed Infants and a Member of the Human Gut Microbiome Bifidobacterium longum
Cell Chem Biol, 24, 2017
5GQF
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BU of 5gqf by Molmil
Crystal structure of lacto-N-biosidase LnbX from Bifidobacterium longum subsp. longum, lacto-N-biose complex
Descriptor: CALCIUM ION, Lacto-N-biosidase, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Yamada, C, Arakawa, T, Katayama, T, Fushinobu, S.
Deposit date:2016-08-07
Release date:2017-04-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Molecular Insight into Evolution of Symbiosis between Breast-Fed Infants and a Member of the Human Gut Microbiome Bifidobacterium longum
Cell Chem Biol, 24, 2017
5ZG0
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BU of 5zg0 by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and Compound-1
Descriptor: 9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ...
Authors:Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG3
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BU of 5zg3 by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and TAK-137
Descriptor: 9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ...
Authors:Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG1
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BU of 5zg1 by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and Compound-2
Descriptor: 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, GLUTAMIC ACID, GLYCEROL, ...
Authors:Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG2
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BU of 5zg2 by Molmil
Crystal structure of the GluA2o LBD in complex with ZK200775 and Compound-2
Descriptor: 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ACETATE ION, GLYCEROL, ...
Authors:Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
6WKZ
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BU of 6wkz by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(1R)-2-AMINO-1-PHENYLETHYL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
Descriptor: 6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2020-04-17
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
6HUS
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BU of 6hus by Molmil
2'-fucosyllactose and 3-fucosyllactose binding protein from Bifidobacterium longum infantis, bound with 3-fucosyllactose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ABC transporter substrate-binding protein, ZINC ION, ...
Authors:Ejby, M, Abou Hachem, M, Lo Leggio, L, Takane, K, Sakanaka, M.
Deposit date:2018-10-09
Release date:2019-09-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.409 Å)
Cite:Evolutionary adaptation in fucosyllactose uptake systems supports bifidobacteria-infant symbiosis.
Sci Adv, 5, 2019
6HUR
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BU of 6hur by Molmil
2'-fucosyllactose and 3-fucosyllactose binding protein from Bifidobacterium longum infantis, bound with 2'-fucosyllactose
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ABC transporter substrate-binding protein, ...
Authors:Ejby, M, Abou Hachem, M, Lo Leggio, L, Katayama, T, Sakanaka, M.
Deposit date:2018-10-09
Release date:2019-09-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.297 Å)
Cite:Evolutionary adaptation in fucosyllactose uptake systems supports bifidobacteria-infant symbiosis.
Sci Adv, 5, 2019
4PB3
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BU of 4pb3 by Molmil
D-threo-3-hydroxyaspartate dehydratase H351A mutant
Descriptor: D-threo-3-hydroxyaspartate dehydratase, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Yasutake, Y, Matsumoto, Y, Wada, M.
Deposit date:2014-04-11
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate.
Appl.Microbiol.Biotechnol., 99, 2015
4PB5
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BU of 4pb5 by Molmil
D-threo-3-hydroxyaspartate dehydratase H351A mutant complexed with L-erythro-3-hydroxyaspartate
Descriptor: (3R)-3-hydroxy-L-aspartic acid, D-threo-3-hydroxyaspartate dehydratase, GLYCEROL, ...
Authors:Yasutake, Y, Matsumoto, Y, Wada, M.
Deposit date:2014-04-11
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate.
Appl.Microbiol.Biotechnol., 99, 2015
4PB4
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BU of 4pb4 by Molmil
D-threo-3-hydroxyaspartate dehydratase H351A mutant complexed with 2-amino maleic acid
Descriptor: 2-amino maleic acid, D-threo-3-hydroxyaspartate dehydratase, MAGNESIUM ION, ...
Authors:Yasutake, Y, Matsumoto, Y, Wada, M.
Deposit date:2014-04-11
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate.
Appl.Microbiol.Biotechnol., 99, 2015
1WDD
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BU of 1wdd by Molmil
Crystal Structure of Activated Rice Rubisco Complexed with 2-Carboxyarabinitol-1,5-bisphosphate
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Mizohata, E, Matsumura, H, Ueno, T, Ishida, H, Inoue, T, Makino, A, Mae, T, Kai, Y.
Deposit date:2004-05-13
Release date:2004-11-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of rice Rubisco and implications for activation induced by positive effectors NADPH and 6-phosphogluconate
J.Mol.Biol., 422, 2012
8AEK
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BU of 8aek by Molmil
Structure of Compound 14 bound to CK2alpha
Descriptor: 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M.
Deposit date:2022-07-13
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
8AEM
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BU of 8aem by Molmil
Structure of Compound 13 bound to CK2alpha
Descriptor: 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M.
Deposit date:2022-07-13
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
6P4V
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BU of 6p4v by Molmil
1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ...
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2019-05-28
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6POP
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BU of 6pop by Molmil
Crystal structure of DauA in complex with NADP+
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, MAGNESIUM ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-07-04
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.147 Å)
Cite:Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
6PGR
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BU of 6pgr by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-BROMO-N-(1H-INDOL-4-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
Descriptor: 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide, Deoxyhypusine synthase
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2019-06-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020

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