6MA2
 
 | | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor ent-1a | | Descriptor: | Host Cell Factor 1 peptide, N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | | Deposit date: | 2018-08-25 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
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6MAM
 | | Cleaved Ebola GP in complex with a broadly neutralizing human antibody, ADI-15946 | | Descriptor: | ADI-15946 Fab Heavy Chain, ADI-15946 Fab Light Chain, Envelope glycoprotein, ... | | Authors: | West, B.R, Moyer, C.L, Fusco, M.L, Saphire, E.O. | | Deposit date: | 2018-08-28 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Structural basis of broad ebolavirus neutralization by a human survivor antibody.
Nat. Struct. Mol. Biol., 26, 2019
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8QH7
 | | Crystal structure of respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to reduced 3-acetylpyridine adenine dinucleotide (without reducing agent) | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL PYRIDINE ADENINE DINUCLEOTIDE, ... | | Authors: | Wohlwend, D, Friedrich, T. | | Deposit date: | 2023-09-06 | | Release date: | 2024-04-03 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I.
Structure, 32, 2024
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8U41
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7U6I
 | | HalB with glycine and succinate | | Descriptor: | GLYCEROL, GLYCINE, Halogenase B, ... | | Authors: | Neugebauer, M.E, Kissman, E.N, Chang, M.C.Y. | | Deposit date: | 2022-03-04 | | Release date: | 2023-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Biocatalytic control of site-selectivity and chain length-selectivity in radical amino acid halogenases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5C9E
 | | SepL | | Descriptor: | BROMIDE ION, SepL | | Authors: | Burkinshaw, B.J, Strynadka, N.C.J. | | Deposit date: | 2015-06-26 | | Release date: | 2015-10-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Structural analysis of SepL, an enteropathogenic Escherichia coli type III secretion system gatekeeper protein
Acta Crystallogr.,Sect.F, 71, 2015
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7OZB
 | | FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 38. | | Descriptor: | 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 1, ... | | Authors: | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | | Deposit date: | 2021-06-27 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
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8K2H
 | | Crystal structure of Group 2Oligosaccharide/Monosaccharide-releasing beta-N-acetylhexosaminidase NgaAt from Arabidopsis thaliana in complex with GalNAc-thiazoline | | Descriptor: | (3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sumida, T, Fushinobu, S. | | Deposit date: | 2023-07-12 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Genetic and functional diversity of beta-N-acetylgalactosamine-targeting glycosidases expanded by deep-sea metagenome analysis.
Nat Commun, 15, 2024
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7XR7
 | | Drimenyl diphosphate synthase D303E from Streptomyces showdoensis in complex with farnesyl diphosphate (FPP) and Mg2+ | | Descriptor: | FARNESYL DIPHOSPHATE, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein | | Authors: | Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B. | | Deposit date: | 2022-05-09 | | Release date: | 2023-03-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase.
J.Am.Chem.Soc., 144, 2022
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7XRU
 | | Drimenyl diphosphate synthase D303E from Streptomyces showdoensis in complex with 2-fluorofarnesyl diphosphate (2F-FPP) and Mg2+ | | Descriptor: | (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein | | Authors: | Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B. | | Deposit date: | 2022-05-11 | | Release date: | 2023-03-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase.
J.Am.Chem.Soc., 144, 2022
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5G13
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7OZF
 | | FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 19. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Fibroblast growth factor receptor 1, ... | | Authors: | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | | Deposit date: | 2021-06-28 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
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8U42
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8TGT
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8K2K
 | | Crystal structure of Group 3 Oligosaccharide/Monosaccharide-releasing beta-N-acetylgalactosaminidase NgaDssm in complex with GalNAc-thiazoline | | Descriptor: | (3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sumida, T, Fushinobu, S. | | Deposit date: | 2023-07-12 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Genetic and functional diversity of beta-N-acetylgalactosamine-targeting glycosidases expanded by deep-sea metagenome analysis.
Nat Commun, 15, 2024
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5FUS
 | | Crystal structure of B. cenocepacia DfsA | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, LAURIC ACID, ... | | Authors: | Spadaro, F, Scoffone, V.C, Chiarelli, L.R, Fumagalli, M, Buroni, S, Riccardi, G, Forneris, F. | | Deposit date: | 2016-01-29 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | The Crystal Structure of Burkholderia Cenocepacia Dfsa Provides Insights Into Substrate Recognition and Quorum Sensing Fatty Acid Biosynthesis.
Biochemistry, 55, 2016
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8JQ6
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5THM
 | | Esterase-6 from Drosophila melanogaster | | Descriptor: | Esterase-6, N,N-dimethylboranamine | | Authors: | Fraser, N.J, Jackson, C.J. | | Deposit date: | 2016-09-29 | | Release date: | 2017-03-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular basis for the behavioral effects of the odorant degrading enzyme Esterase 6 in Drosophila.
Sci Rep, 7, 2017
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5FT8
 | | Crystal structure of the complex between the cysteine desulfurase CsdA and the sulfur-acceptor CsdE in the persulfurated state at 2.50 Angstroem resolution | | Descriptor: | Cysteine desulfurase CsdA, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C. | | Deposit date: | 2016-01-11 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System
Acs Catalysis, 6, 2016
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7OZY
 | | FGFR2 kinase domain (residues 461-763) in complex with 38. | | Descriptor: | 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 2, ... | | Authors: | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | | Deposit date: | 2021-06-29 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
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5THV
 | | Crystal Structure of G305A HDAC8 in complex with M344 | | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2016-09-30 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.868 Å) | | Cite: | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
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8QKE
 | | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MH-13) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MH-13), ... | | Authors: | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | | Deposit date: | 2023-09-15 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.504 Å) | | Cite: | Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
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7XQ4
 | | Drimenyl diphosphate synthase from Streptomyces showdoensis (apo) | | Descriptor: | SQHop_cyclase_C domain-containing protein | | Authors: | Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B. | | Deposit date: | 2022-05-06 | | Release date: | 2023-03-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase.
J.Am.Chem.Soc., 144, 2022
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8K2P
 | | Crystal structure of CtGST-F76A | | Descriptor: | Glutathione S-transferase | | Authors: | Yang, J, Xiao, J.Y, Lei, X.G. | | Deposit date: | 2023-07-13 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7.
Jacs Au, 4, 2024
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7OKF
 | | Crystal structure of human BCL6 BTB domain in complex with compound 8c | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
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