6U0S
 
 | | Crystal structure of the flavin-dependent monooxygenase PieE in complex with FAD and substrate | | Descriptor: | 2,4-dichlorophenol 6-monooxygenase, 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol, CHLORIDE ION, ... | | Authors: | Shi, R, Manenda, M. | | Deposit date: | 2019-08-14 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations.
J.Biol.Chem., 295, 2020
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5WPR
 | | Crystal structure HpiC1 in C2 space group | | Descriptor: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2017-08-07 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
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5WQO
 | | Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition I) | | Descriptor: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable dehydrogenase, ... | | Authors: | Li, S, Wang, Y, Bartlam, M. | | Deposit date: | 2016-11-27 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
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5WPP
 | | Crystal structure HpiC1 W73M/K132M | | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2017-08-07 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
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4MLC
 | | ABC Transporter Substrate-Binding Protein fromDesulfitobacterium hafniense | | Descriptor: | CALCIUM ION, Extracellular ligand-binding receptor, SULFATE ION | | Authors: | Kim, Y, Chhor, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-09-06 | | Release date: | 2013-09-18 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | ABC Transporter Substrate-Binding Protein fromDesulfitobacterium hafniense
To be Published
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5WRG
 | | SARS-CoV spike glycoprotein | | Descriptor: | Spike glycoprotein | | Authors: | Gui, M, Song, W, Xiang, Y, Wang, X. | | Deposit date: | 2016-12-01 | | Release date: | 2017-01-11 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Cryo-electron microscopy structures of the SARS-CoV spike glycoprotein reveal a prerequisite conformational state for receptor binding.
Cell Res., 27, 2017
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4MLV
 | | Crystal Structure of Bacillus megaterium porphobilinogen deaminase | | Descriptor: | 3-[(5S)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid, 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, ACETIC ACID, ... | | Authors: | Azim, N, Deery, E, Warren, M.J, Erskine, P, Cooper, J.B, Coker, A, Wood, S.P, Akhtar, M. | | Deposit date: | 2013-09-06 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.455 Å) | | Cite: | Structural evidence for the partially oxidized dipyrromethene and dipyrromethanone forms of the cofactor of porphobilinogen deaminase: structures of the Bacillus megaterium enzyme at near-atomic resolution.
Acta Crystallogr.,Sect.D, 70, 2014
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4MP4
 | | Crystal structure of a glutathione transferase family member from Acinetobacter baumannii, Target EFI-501785, apo structure | | Descriptor: | Glutathione S-transferase, SULFATE ION | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-12 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Crystal structure of a glutathione transferase family member from Acinetobacter baumannii, Target EFI-501785, apo structure
To be Published
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4MO9
 | | Crystal Structure of TroA-like Periplasmic Binding Protein FepB from Veillonella parvula | | Descriptor: | GLYCEROL, Periplasmic binding protein, trimethylamine oxide | | Authors: | Kim, Y, Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-09-11 | | Release date: | 2013-09-25 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.925 Å) | | Cite: | Crystal Structure of TroA-like Periplasmic Binding Protein FepB from Veillonella parvula
To be Published
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8ITO
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4MRM
 | | Crystal structure of the extracellular domain of human GABA(B) receptor bound to the antagonist phaclofen | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ... | | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | | Deposit date: | 2013-09-17 | | Release date: | 2013-12-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor.
Nature, 504, 2013
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4MK3
 | | Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h) | | Descriptor: | Glutathione S-transferase, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, MAGNESIUM ION, ... | | Authors: | Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-04 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h)
To be published
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4MUY
 | | IspH in complex with pyridin-4-ylmethyl diphosphate | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-4-ylmethyl trihydrogen diphosphate | | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | | Deposit date: | 2013-09-23 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
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8J6Y
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6U0P
 | | Crystal structure of PieE, the flavin-dependent monooxygenase involved in the biosynthesis of piericidin A1 | | Descriptor: | 2,4-dichlorophenol 6-monooxygenase, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Shi, R, Manenda, M, Picard, M.-E. | | Deposit date: | 2019-08-14 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations.
J.Biol.Chem., 295, 2020
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4Y3Z
 | | Endothiapepsin in complex with fragment 41 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Endothiapepsin, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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8J9F
 | | Structure of STG-hydrolyzing beta-glucosidase 1 (PSTG1) | | Descriptor: | Beta-glucosidase, GLYCEROL | | Authors: | Yanai, T, Imaizumi, R, Takahashi, Y, Katsumura, E, Yamamoto, M, Nakayama, T, Yamashita, S, Takeshita, K, Sakai, N, Matsuura, H. | | Deposit date: | 2023-05-03 | | Release date: | 2024-04-10 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural insights into a bacterial beta-glucosidase capable of degrading sesaminol triglucoside to produce sesaminol: toward the understanding of the aglycone recognition mechanism by the C-terminal lid domain.
J.Biochem., 174, 2023
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8IU6
 | | Crystal structure of peptidyl-tRNA hydrolase mutant from Enterococcus faecium | | Descriptor: | GLYCEROL, Peptidyl-tRNA hydrolase | | Authors: | Pandey, R, Tripathi, S, Lanka, A.K, Zohib, M, Pal, R.K, Arora, A. | | Deposit date: | 2023-03-23 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of peptidyl-tRNA hydrolase mutant from Enterococcus faecium
To Be Published
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4ML9
 | | Crystal Structure of Uncharacterized TIM Barrel Protein with the Conserved Phosphate Binding Site fromSebaldella termitidis | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Kim, Y, Holowicki, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-09-06 | | Release date: | 2013-09-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Crystal Structure of Uncharacterized TIM Barrel Protein with the Conserved Phosphate Binding Site fromSebaldella termitidis
To be Published
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5WPA
 | | Structure of human SFPQ/PSPC1 heterodimer | | Descriptor: | Paraspeckle component 1, Splicing factor, proline- and glutamine-rich | | Authors: | Lee, M. | | Deposit date: | 2017-08-04 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structure of a SFPQ/PSPC1 heterodimer provides insights into preferential heterodimerization of human DBHS family proteins.
J. Biol. Chem., 293, 2018
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8INW
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5WPU
 | | Crystal structure HpiC1 Y101S | | Descriptor: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION | | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2017-08-07 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
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8INY
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Lin, M, Liu, X. | | Deposit date: | 2023-03-10 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir
To Be Published
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4MND
 | | Crystal structure of Archaeoglobus fulgidus IPCT-DIPPS bifunctional membrane protein | | Descriptor: | CTP L-myo-inositol-1-phosphate cytidylyltransferase/CDP-L-myo-inositol myo-inositolphosphotransferase, EICOSANE, MAGNESIUM ION | | Authors: | Nogly, P, Gushchin, I, Remeeva, A, Esteves, A.M, Ishchenko, A, Ma, P, Grudinin, S, Borges, N, Round, E, Moraes, I, Borshchevskiy, V, Santos, H, Gordeliy, V, Archer, M. | | Deposit date: | 2013-09-10 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | X-ray structure of a CDP-alcohol phosphatidyltransferase membrane enzyme and insights into its catalytic mechanism.
Nat Commun, 5, 2014
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5WQD
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