7XNV
 
 | | Structurally hetero-junctional human Cx36/GJD2 gap junction channel in soybean lipids (C6 symmetry) | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction delta-2 protein | | Authors: | Lee, S.N, Cho, H.J, Jeong, H, Ryu, B, Lee, H.J, Lee, H.H, Woo, J.S. | | Deposit date: | 2022-04-29 | | Release date: | 2023-03-22 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures of human Cx36/GJD2 neuronal gap junction channel.
Nat Commun, 14, 2023
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6G3Y
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH5675 | | Descriptor: | 4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide, ACETATE ION, N-glycosylase/DNA lyase, ... | | Authors: | Masuyer, G, Helleday, T, Stenmark, P. | | Deposit date: | 2018-03-26 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Small-molecule inhibitor of OGG1 suppresses proinflammatory gene expression and inflammation.
Science, 362, 2018
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9JHY
 | | 3-Hydroxybutyryl-CoA dehydrogenase mutant (S117A) with acetoacetyl CoA | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, NAD binding domain protein, ACETOACETYL-COENZYME A | | Authors: | Yang, J.W, Jeon, H.J, Park, S.H, Jang, S.H, Park, J.A, Kim, S.H, Hwang, K.Y. | | Deposit date: | 2024-09-10 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights and Catalytic Mechanism of 3-Hydroxybutyryl-CoA Dehydrogenase from Faecalibacterium Prausnitzii A2-165.
Int J Mol Sci, 25, 2024
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7X0Z
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7XNH
 | | Human Cx36/GJD2 gap junction channel with pore-lining N-terminal helices in soybean lipids | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction delta-2 protein | | Authors: | Lee, S.N, Cho, H.J, Jeong, H, Ryu, B, Lee, H.J, Lee, H.H, Woo, J.S. | | Deposit date: | 2022-04-28 | | Release date: | 2023-03-22 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures of human Cx36/GJD2 neuronal gap junction channel.
Nat Commun, 14, 2023
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6G5G
 | | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | Deposit date: | 2018-03-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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8DH6
 | | Cryo-EM structure of Saccharomyces cerevisiae cytochrome c oxidase (Complex IV) extracted in lipid nanodiscs | | Descriptor: | CALCIUM ION, COPPER (II) ION, Cytochrome c oxidase subunit 1, ... | | Authors: | Godoy, A.S, Song, Y, Cheruvara, H, Quigley, A, Oliva, G. | | Deposit date: | 2022-06-25 | | Release date: | 2022-07-20 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Cryo-EM structure of Saccharomyces cerevisiae cytochrome c oxidase (Complex IV) extracted in lipid nanodiscs
To Be Published
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7AC8
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6PDO
 | | Human PIM1 bound to benzothiophene inhibitor 354 | | Descriptor: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide, Peptide, Serine/threonine-protein kinase pim-1 | | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-06-19 | | Release date: | 2019-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Human PIM1
To Be Published
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5LG9
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4Q63
 | | Crystal Structure of Legionella Uncharacterized Protein Lpg0364 | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Kim, Y, Evdokimova, E, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-04-21 | | Release date: | 2014-05-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.953 Å) | | Cite: | Crystal Structure of Legionella Uncharacterized Protein Lpg0364
To be Published
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6ZP8
 | | Yeast 20S proteasome in complex with glidobactin-like natural product HB335 | | Descriptor: | (2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B. | | Deposit date: | 2020-07-08 | | Release date: | 2021-05-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii.
Chembiochem, 22, 2021
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9JHE
 | | 3-hydroxybutyryl-CoA dehydrogenase with NAD | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, NAD binding domain protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Park, J.A, Yang, J.W, Park, S.H, Kim, S.H, Hwang, K.Y. | | Deposit date: | 2024-09-09 | | Release date: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Insights and Catalytic Mechanism of 3-Hydroxybutyryl-CoA Dehydrogenase from Faecalibacterium Prausnitzii A2-165.
Int J Mol Sci, 25, 2024
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9J4X
 | | CryoEM structure of human XPR1 in apo state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Solute carrier family 53 member 1 | | Authors: | Zhang, W.H, Chen, Y.K, Guan, Z.Y, Liu, Z. | | Deposit date: | 2024-08-10 | | Release date: | 2024-12-04 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insights into the mechanism of phosphate recognition and transport by XPR1.
Nat Commun, 16, 2025
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5LH4
 | | Trypsin inhibitors for the treatment of pancreatitis - cpd 1 | | Descriptor: | (2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J. | | Deposit date: | 2016-07-08 | | Release date: | 2018-01-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Trypsin inhibitors for the treatment of pancreatitis.
Bioorg. Med. Chem. Lett., 26, 2016
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6FNR
 | | Ergothioneine-biosynthetic methyltransferase EgtD in complex with chlorohistidine | | Descriptor: | (2~{S})-2-chloranyl-3-(1~{H}-imidazol-5-yl)propanoic acid, GLYCEROL, Histidine N-alpha-methyltransferase, ... | | Authors: | Vit, A, Blankenfeldt, W, Seebeck, F.P. | | Deposit date: | 2018-02-05 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
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7TWE
 | | Crystal Structure of the Putative Oxidoreductase of DUF1479-containing Protein Family YPO2976 from Yersinia pestis Bound to 2-oxo-glutaric acid | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DUF1479 domain-containing protein, ... | | Authors: | Kim, Y, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-02-07 | | Release date: | 2022-02-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal Structure of the Putative Oxidoreductase of DUF1479-containing Protein Family YPO2976 from Yersinia pestis Bound to 2-oxo-glutaric acid
To Be Published
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8I07
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7XEC
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8I08
 | | Crystal structure of Escherichia coli glyoxylate carboligase quadruple mutant | | Descriptor: | 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ... | | Authors: | Kim, J.H, Kim, J.S. | | Deposit date: | 2023-01-10 | | Release date: | 2023-11-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Engineering of two thiamine diphosphate-dependent enzymes for the regioselective condensation of C1-formaldehyde into C4-erythrulose.
Int.J.Biol.Macromol., 253, 2023
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8I01
 | | Crystal structure of Escherichia coli glyoxylate carboligase | | Descriptor: | 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ... | | Authors: | Kim, J.H, Kim, J.S. | | Deposit date: | 2023-01-10 | | Release date: | 2023-11-22 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Engineering of two thiamine diphosphate-dependent enzymes for the regioselective condensation of C1-formaldehyde into C4-erythrulose.
Int.J.Biol.Macromol., 253, 2023
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8I05
 | | Crystal structure of Escherichia coli glyoxylate carboligase double mutant | | Descriptor: | 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ... | | Authors: | Kim, J.H, Kim, J.S. | | Deposit date: | 2023-01-10 | | Release date: | 2023-11-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Engineering of two thiamine diphosphate-dependent enzymes for the regioselective condensation of C1-formaldehyde into C4-erythrulose.
Int.J.Biol.Macromol., 253, 2023
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9J61
 | | Crystal structure of a cyclodipeptide synthase from Streptomyces sapporonensis | | Descriptor: | 1,2-ETHANEDIOL, Cyclodipeptide synthase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, P, Ren, Y, He, J, Wu, S, Wang, J, Tang, G, Fang, P. | | Deposit date: | 2024-08-14 | | Release date: | 2024-12-04 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure and Mutagenesis of an XYP Subfamily Cyclodipeptide Synthase Reveal Key Determinants of Enzyme Activity and Substrate Specificity.
Biochemistry, 63, 2024
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7XEJ
 | | SufS with D-cysteine for 5 min | | Descriptor: | (2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid, 1,2-ETHANEDIOL, Cysteine desulfurase SufS, ... | | Authors: | Nakamiura, R, Fujishiro, T. | | Deposit date: | 2022-03-31 | | Release date: | 2023-04-05 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Visualizing thiazolidine ring formation in the reaction of D-cysteine and pyridoxal-5'-phosphate within L-cysteine desulfurase SufS.
Biochem.Biophys.Res.Commun., 754, 2025
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830C
 | | COLLAGENASE-3 (MMP-13) COMPLEXED TO A SULPHONE-BASED HYDROXAMIC ACID | | Descriptor: | 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, MMP-13, ... | | Authors: | Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F. | | Deposit date: | 1998-08-06 | | Release date: | 1999-08-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
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