8E3L
 
 | | E. coli 50S ribosome bound to D-linker solithromycin conjugate | | Descriptor: | (2~{R})-~{N}-[(2~{R})-6-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[3-[1-[4-[(1~{S},2~{R},5~{S},7~{R},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5-fluoranyl-9-methoxy-1,5,7,11,13-pentamethyl-4,6,12,16-tetrakis(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]butyl]-1,2,3-triazol-4-yl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2~{R})-2-[[(2~{R})-2-[2-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]amino]ethanoylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxamide, 50S ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2022-08-17 | | Release date: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (2.35 Å) | | Cite: | Solithromycin siderophore conjugates
To Be Published
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8E49
 | | E. coli 50S ribosome bound to antibiotic analog SLC31 | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2022-08-17 | | Release date: | 2023-06-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.05 Å) | | Cite: | SLC collection of antibiotic analogs
To Be Published
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8E43
 | | E. coli 50S ribosome bound to compound streptogramin A analog 3336 | | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Pellegrino, J, Lee, D.J, Seiple, I.B, Fraser, J.S. | | Deposit date: | 2022-08-17 | | Release date: | 2023-06-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.09 Å) | | Cite: | Streptogramin A analogs
To Be Published
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8E48
 | | E. coli 50S ribosome bound to antibiotic analog SLC30 | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2022-08-17 | | Release date: | 2023-06-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.27 Å) | | Cite: | SLC collection of antibiotic analogs
To Be Published
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8E46
 | | E. coli 50S ribosome bound to antibiotic analog SLC21 | | Descriptor: | (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[{[1-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2022-08-17 | | Release date: | 2023-06-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.32 Å) | | Cite: | SLC collection of antibiotic analogs
To Be Published
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8FOR
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8FMC
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8FMD
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8FOQ
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8FME
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8FOS
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8ERS
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8FG7
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8FG5
 | | Apo mouse acidic mammalian chitinase, catalytic domain at 100 K | | Descriptor: | Acidic mammalian chitinase, MAGNESIUM ION | | Authors: | Diaz, R.E, Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2022-12-12 | | Release date: | 2023-03-01 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
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8FRA
 | | Mouse acidic mammalian chitinase, catalytic domain in complex with diacetylchitobiose at pH 5.60 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ... | | Authors: | Diaz, R.E, Fraser, J.S. | | Deposit date: | 2023-01-06 | | Release date: | 2023-03-08 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
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8FRC
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8FRB
 | | Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.25 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetylamino-2-deoxy-alpha-L-idopyranose, ... | | Authors: | Diaz, R.E, Fraser, J.S. | | Deposit date: | 2023-01-06 | | Release date: | 2023-03-08 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
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8FRD
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8FR9
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8FRG
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6UAD
 | | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38 | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Ketosteroid isomerase with truncated and designed loop, PHOSPHATE ION | | Authors: | Kundert, K, Thompson, M.C, Liu, L, Fraser, J.S, Kortemme, T. | | Deposit date: | 2019-09-10 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
To Be Published
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6UCW
 | | Multi-conformer model of Apo Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 250 K | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase | | Authors: | Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S. | | Deposit date: | 2019-09-17 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7MFT
 | | Glutamate synthase, glutamate dehydrogenase counter-enzyme complex (GudB6-GltA6-GltB6) | | Descriptor: | FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Jayaraman, V, Lee, D.J, Elad, N, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2021-04-11 | | Release date: | 2022-01-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | A counter-enzyme complex regulates glutamate metabolism in Bacillus subtilis.
Nat.Chem.Biol., 18, 2022
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7MFM
 | | Glutamate synthase, glutamate dehydrogenase counter-enzyme complex | | Descriptor: | FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Jayaraman, V, Lee, D.J, Elad, N, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2021-04-10 | | Release date: | 2022-01-05 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | A counter-enzyme complex regulates glutamate metabolism in Bacillus subtilis.
Nat.Chem.Biol., 18, 2022
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6DML
 | | A multiconformer ligand model of 3,5 dimethylisoxaxole bound to the bromodomain of human BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, Bromodomain-containing protein 4 | | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2018-06-05 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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