9JTL
 
 | | Human glucose 6 phosphate catalytic subunit 1 (hG6PC1) in apo state. | | Descriptor: | Glucose-6-phosphatase catalytic subunit 1,GS linker-HRV3C-GFP-twin strep, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine | | Authors: | Chen, Q, Zhao, Y, Wang, Y. | | Deposit date: | 2024-10-05 | | Release date: | 2025-08-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The induced-fit and catalytic mechanisms of human G6PC1
Cell Discov, 11, 2025
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7RR4
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5OGO
 | | Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2017-07-13 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
To be published
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9JTM
 | | Human glucose 6 phosphate catalytic subunit 1 (hG6PC1) bound with G6P | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glucose-6-phosphatase catalytic subunit 1,GSlinker-HRV3C-GFP-twin strep, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine | | Authors: | Chen, Q, Zhao, Y. | | Deposit date: | 2024-10-05 | | Release date: | 2025-08-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The induced-fit and catalytic mechanisms of human G6PC1
Cell Discov, 11, 2025
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9JTO
 | | Human glucose 6 phosphate catalytic subunit 1 (hG6PC1) bound with F6P. | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Glucose-6-phosphatase catalytic subunit 1,GSlinker-HRV3C-GFP-twin strep, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine | | Authors: | Chen, Q, Zhao, Y, Wang, Y. | | Deposit date: | 2024-10-05 | | Release date: | 2025-08-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The induced-fit and catalytic mechanisms of human G6PC1
Cell Discov, 11, 2025
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5OJZ
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6JOI
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7OER
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(2,2-diphenylethyl)-1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-(2,2-diphenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide | | Authors: | Chung, C. | | Deposit date: | 2021-05-03 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Discovery of a Highly Selective BET BD2 Inhibitor from a DNA-Encoded Library Technology Screening Hit.
J.Med.Chem., 64, 2021
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7T85
 | | Crystal Structure of the N-terminal Domain of the Phosphate Acetyltransferase from Escherichia coli | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Phosphate acetyltransferase, ... | | Authors: | Kim, Y, Dementiev, A, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-12-15 | | Release date: | 2021-12-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the N-terminal Domain of the Phosphate Acetyltransferase from Escherichia coli
To Be Published
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6V66
 | | EGFR(T790M/V948R) in complex with LN2899 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ... | | Authors: | Heppner, D.E, Eck, M.J. | | Deposit date: | 2019-12-04 | | Release date: | 2020-04-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
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1JTW
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9DY7
 | | Proteus vulgaris tryptophan indole-lyase complexed with L-ethionine and Na+ | | Descriptor: | (2E)-4-(ethylsulfanyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}butanoic acid, (E)-S-ethyl-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-homocysteine, 1,2-ETHANEDIOL, ... | | Authors: | Phillips, R.S. | | Deposit date: | 2024-10-13 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure and dynamics of Proteus vulgaris tryptophan indole-lyase complexes with l-ethionine and l-alanine.
Arch.Biochem.Biophys., 768, 2025
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9FYU
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8RMT
 | | Galectin-3 with a bound inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclohexyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-08 | | Release date: | 2025-01-29 | | Last modified: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of Galactopyranose-1-carboxamides as a New Class of Small, Novel, Potent, Selective, and Orally Active Galectin-3 Inhibitors.
Chemmedchem, 20, 2025
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8RMV
 | | Galectin-3 with a bound inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclobutyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-08 | | Release date: | 2025-01-29 | | Last modified: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Discovery of Galactopyranose-1-carboxamides as a New Class of Small, Novel, Potent, Selective, and Orally Active Galectin-3 Inhibitors.
Chemmedchem, 20, 2025
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8RMU
 | | Galectin-3 with a bound inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-08 | | Release date: | 2025-01-29 | | Last modified: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery of Galactopyranose-1-carboxamides as a New Class of Small, Novel, Potent, Selective, and Orally Active Galectin-3 Inhibitors.
Chemmedchem, 20, 2025
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5MGE
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5G4N
 | | Crystal structure of the p53 cancer mutant Y220C in complex with a difluorinated derivative of the small molecule stabilizer Phikan083 | | Descriptor: | 1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, GLYCEROL, ... | | Authors: | Joerger, A.C, Bauer, M, Jones, R.N, Spencer, J. | | Deposit date: | 2016-05-13 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
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6CSR
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8VCP
 | | Crystal structure of dimeric rMcL-1 in complex with raffinose | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Hernandez-Santoyo, A, Loera-Rubalcava, J. | | Deposit date: | 2023-12-14 | | Release date: | 2024-12-18 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | A mytilectin from Mytilus californianus: Study of its unique galactoside interactions, oligomerization patterns, and antifungal activity.
Int.J.Biol.Macromol., 308, 2025
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5MI4
 | | BtGH84 mutant with covalent modification by MA3 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ... | | Authors: | Darby, J.F, Davies, G.J, Hubbard, R.E. | | Deposit date: | 2016-11-27 | | Release date: | 2017-11-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
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6GS0
 | | Native Glucuronoyl Esterase from Opitutus terrae | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Putative acetyl xylan esterase, ... | | Authors: | Lo Leggio, L, Larsbrink, J, Meland Knudsen, R, Mazurkewich, S, Navarro Poulsen, J.C. | | Deposit date: | 2018-06-13 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Biochemical and structural features of diverse bacterial glucuronoyl esterases facilitating recalcitrant biomass conversion.
Biotechnol Biofuels, 11, 2018
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6HNY
 | | Human protein kinase CK2 alpha in complex with boldine | | Descriptor: | 1,2-ETHANEDIOL, Boldine, Casein kinase II subunit alpha, ... | | Authors: | Battistutta, R, Lolli, G. | | Deposit date: | 2018-09-17 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Inhibitory Properties of ATP-Competitive Coumestrol and Boldine Are Correlated to Different Modulations of CK2 Flexibility.
J.Nat.Prod., 82, 2019
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5MGJ
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4Z4L
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