7S09
 
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6P9E
 | | Crystal structure of IL-36gamma complexed to A-552 | | Descriptor: | (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma | | Authors: | Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E. | | Deposit date: | 2019-06-10 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis.
Sci Rep, 9, 2019
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8RYS
 | | Human IL-1beta, unliganded | | Descriptor: | Interleukin-1 beta, SULFATE ION | | Authors: | Rondeau, J.-M, Lehmann, S. | | Deposit date: | 2024-02-09 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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7Q5I
 | | A glucose-based molecular rotor probes the catalytic site of glycogen phosphorylase. | | Descriptor: | 2-cyano-3-[4-(dimethylamino)phenyl]-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide, BETA-MERCAPTOETHANOL, CARBONATE ION, ... | | Authors: | Neofytos, D.D, Chrysina, E.D. | | Deposit date: | 2021-11-03 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A glucose-based molecular rotor inhibitor of glycogen phosphorylase as a probe of cellular enzymatic function.
Org.Biomol.Chem., 20, 2022
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7MY1
 | | Sy-CrtE structure with IPP, N-term His-tag | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, Geranylgeranyl pyrophosphate synthase, ... | | Authors: | Peat, T.S, Newman, J. | | Deposit date: | 2021-05-19 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
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7MXZ
 | | Sy-CrtE apo structure | | Descriptor: | CHLORIDE ION, Geranylgeranyl pyrophosphate synthase, MAGNESIUM ION | | Authors: | Peat, T.S, Newman, J. | | Deposit date: | 2021-05-19 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
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8RVK
 | | Maltodextrin phosphorylase (MalP) in complex with a alpha-1,2-cyclophellitol analogue | | Descriptor: | (3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bennett, M, Ofman, T.P, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2024-02-01 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
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7MY7
 | | Se-CrtE N-term His-tag structure | | Descriptor: | Farnesyl-diphosphate synthase | | Authors: | Peat, T.S, Newman, J. | | Deposit date: | 2021-05-20 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
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7MY0
 | | Sy-CrtE IPP structure | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Geranylgeranyl pyrophosphate synthase, ... | | Authors: | Peat, T.S, Newman, J. | | Deposit date: | 2021-05-19 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
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7MY6
 | | Se-CrtE C-term His-tag with IPP added | | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Peat, T.S, Newman, J. | | Deposit date: | 2021-05-20 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
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6QA7
 | | Glycogen Phosphorylase b in complex with 29 | | Descriptor: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2018-12-18 | | Release date: | 2019-06-26 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
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6QA6
 | | Glycogen Phosphorylase b in complex with 30 | | Descriptor: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2018-12-18 | | Release date: | 2019-06-26 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
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6QA8
 | | Glycogen Phosphorylase b in complex with 28 | | Descriptor: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2018-12-18 | | Release date: | 2019-06-26 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
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8RZB
 | | IL-1beta in complex with covalent DEL hit | | Descriptor: | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta | | Authors: | Rondeau, J.-M, Lehmann, S. | | Deposit date: | 2024-02-12 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.836 Å) | | Cite: | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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8RYK
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7BUX
 | | Eucommia ulmoides FPS1 | | Descriptor: | FPS2 | | Authors: | Kajiura, H, Yoshizawa, T, Tokumoto, Y, Suzuki, N, Takeno, S, Takeno, K.J, Yamashita, T, Tanaka, S, Kaneko, Y, Fujiyama, K, Matsumura, H, Nakazawa, Y. | | Deposit date: | 2020-04-08 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-function studies of ultrahigh molecular weight isoprenes provide key insights into their biosynthesis.
Commun Biol, 4, 2021
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7BUW
 | | Eucommia ulmoides TPT3 mutant -C94Y/A95F | | Descriptor: | FPS3 | | Authors: | Kajiura, H, Yoshizawa, T, Tokumoto, Y, Suzuki, N, Takeno, S, Takeno, K.J, Yamashita, T, Tanaka, S, Kaneko, Y, Fujiyama, K, Matsumura, H, Nakazawa, Y. | | Deposit date: | 2020-04-08 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure-function studies of ultrahigh molecular weight isoprenes provide key insights into their biosynthesis.
Commun Biol, 4, 2021
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7BUV
 | | Eucommia ulmoides TPT3, crystal form 2 | | Descriptor: | FPS3 | | Authors: | Kajiura, H, Yoshizawa, T, Tokumoto, Y, Suzuki, N, Takeno, S, Takeno, K.J, Yamashita, T, Tanaka, S, Kaneko, Y, Fujiyama, K, Matsumura, H, Nakazawa, Y. | | Deposit date: | 2020-04-08 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure-function studies of ultrahigh molecular weight isoprenes provide key insights into their biosynthesis.
Commun Biol, 4, 2021
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7BUU
 | | Eucommia ulmoides TPT3, crystal form 1 | | Descriptor: | FPS3 | | Authors: | Kajiura, H, Yoshizawa, T, Tokumoto, Y, Suzuki, N, Takeno, S, Takeno, K.J, Yamashita, T, Tanaka, S, Kaneko, Y, Fujiyama, K, Matsumura, H, Nakazawa, Y. | | Deposit date: | 2020-04-08 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-function studies of ultrahigh molecular weight isoprenes provide key insights into their biosynthesis.
Commun Biol, 4, 2021
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7O0A
 | | Bdellovibrio bacteriovorus PGI in P1211 spacegroup | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glucose-6-phosphate isomerase | | Authors: | Meek, R.W, Lovering, A.L. | | Deposit date: | 2021-03-26 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Bdellovibrio bacteriovorus phosphoglucose isomerase structures reveal novel rigidity in the active site of a selected subset of enzymes upon substrate binding.
Open Biology, 11, 2021
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7NTG
 | | Bdellovibrio bacteriovorus PGI in complex with fructose-6-phosphate | | Descriptor: | 1,2-ETHANEDIOL, FRUCTOSE -6-PHOSPHATE, Glucose-6-phosphate isomerase | | Authors: | Meek, R.W, Lovering, A.L. | | Deposit date: | 2021-03-09 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Bdellovibrio bacteriovorus phosphoglucose isomerase structures reveal novel rigidity in the active site of a selected subset of enzymes upon substrate binding.
Open Biology, 11, 2021
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7NSS
 | | Bdellovibrio bacteriovorus PGI in P3121 spacegroup | | Descriptor: | 1,2-ETHANEDIOL, Glucose-6-phosphate isomerase | | Authors: | Meek, R.W, Lovering, A.L. | | Deposit date: | 2021-03-08 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Bdellovibrio bacteriovorus phosphoglucose isomerase structures reveal novel rigidity in the active site of a selected subset of enzymes upon substrate binding.
Open Biology, 11, 2021
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1TZI
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3AMV
 | | ALLOSTERIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG | | Descriptor: | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM, GLYCEROL, PROTEIN (GLYCOGEN PHOSPHORYLASE), ... | | Authors: | Oikonomakos, N.G, Tsitsanou, K.E, Zographos, S.E, Skamnaki, V.T. | | Deposit date: | 1999-02-18 | | Release date: | 1999-02-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Allosteric inhibition of glycogen phosphorylase a by the potential antidiabetic drug 3-isopropyl 4-(2-chlorophenyl)-1,4-dihydro-1-ethyl-2-methyl-pyridine-3,5,6-tricarbo xylate.
Protein Sci., 8, 1999
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1U0G
 | | Crystal structure of mouse phosphoglucose isomerase in complex with erythrose 4-phosphate | | Descriptor: | BETA-MERCAPTOETHANOL, ERYTHOSE-4-PHOSPHATE, GLYCEROL, ... | | Authors: | Solomons, J.T.G, Zimmerly, E.M, Burns, S, Krishnamurthy, N, Swan, M.K, Krings, S, Muirhead, H, Chirgwin, J, Davies, C. | | Deposit date: | 2004-07-13 | | Release date: | 2004-11-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening.
J.Mol.Biol., 342, 2004
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