5WC7
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![BU of 5wc7 by Molmil](/molmil-images/mine/5wc7) | CypA Mutant - I97V S99T C115S | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Fraser, J.S. | Deposit date: | 2017-06-29 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Rescue of conformational dynamics in enzyme catalysis by directed evolution. Nat Commun, 9, 2018
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7RGR
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![BU of 7rgr by Molmil](/molmil-images/mine/7rgr) | Lysozyme 056 from Deep neural language modeling | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Artificial protein L056, CHLORIDE ION | Authors: | Fraser, J.S, Holton, J.M, Olmos Jr, J.L, Greene, E.R. | Deposit date: | 2021-07-15 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Large language models generate functional protein sequences across diverse families. Nat.Biotechnol., 2023
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3K0M
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![BU of 3k0m by Molmil](/molmil-images/mine/3k0m) | Cryogenic structure of CypA | Descriptor: | Cyclophilin A | Authors: | Fraser, J.S, Alber, T. | Deposit date: | 2009-09-24 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Hidden alternative structures of proline isomerase essential for catalysis. Nature, 462, 2009
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3K0R
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![BU of 3k0r by Molmil](/molmil-images/mine/3k0r) | |
3K0P
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![BU of 3k0p by Molmil](/molmil-images/mine/3k0p) | |
3K0N
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![BU of 3k0n by Molmil](/molmil-images/mine/3k0n) | Room temperature structure of CypA | Descriptor: | Cyclophilin A | Authors: | Fraser, J.S, Alber, T. | Deposit date: | 2009-09-24 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.391 Å) | Cite: | Hidden alternative structures of proline isomerase essential for catalysis. Nature, 462, 2009
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3K0Q
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![BU of 3k0q by Molmil](/molmil-images/mine/3k0q) | |
3K0O
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![BU of 3k0o by Molmil](/molmil-images/mine/3k0o) | |
3TGP
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![BU of 3tgp by Molmil](/molmil-images/mine/3tgp) | Room temperature H-ras | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Fraser, J.S, Alber, T. | Deposit date: | 2011-08-17 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3075 Å) | Cite: | Accessing protein conformational ensembles using room-temperature X-ray crystallography. Proc.Natl.Acad.Sci.USA, 108, 2011
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5F66
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![BU of 5f66 by Molmil](/molmil-images/mine/5f66) | |
6BTA
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![BU of 6bta by Molmil](/molmil-images/mine/6bta) | CypA Mutant - S99T C115S | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Fraser, J.S, Kenner, L.R, Liu, L. | Deposit date: | 2017-12-06 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Rescue of conformational dynamics in enzyme catalysis by directed evolution. Nat Commun, 9, 2018
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2NT3
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![BU of 2nt3 by Molmil](/molmil-images/mine/2nt3) | Receiver domain from Myxococcus xanthus social motility protein FrzS (Y102A Mutant) | Descriptor: | Response regulator homolog | Authors: | Fraser, J.S, Echols, N, Merlie, J.P, Zusman, D.R, Alber, T. | Deposit date: | 2006-11-06 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | An atypical receiver domain controls the dynamic polar localization of the Myxococcus xanthus social motility protein FrzS. Mol.Microbiol., 65, 2007
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4OBV
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![BU of 4obv by Molmil](/molmil-images/mine/4obv) | Ruminococcus gnavus tryptophan decarboxylase RUMGNA_01526 (alpha-FMT) | Descriptor: | Pyridoxal-dependent decarboxylase domain protein, alpha-(fluoromethyl)-D-tryptophan, {5-hydroxy-4-[(1E)-4-(1H-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate | Authors: | Fraser, J.S, Van Benschoten, A.H. | Deposit date: | 2014-01-07 | Release date: | 2014-10-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Discovery and Characterization of Gut Microbiota Decarboxylases that Can Produce the Neurotransmitter Tryptamine. Cell Host Microbe, 16, 2014
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4PTH
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![BU of 4pth by Molmil](/molmil-images/mine/4pth) | Ensemble model for Escherichia coli dihydrofolate reductase at 100K | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | Deposit date: | 2014-03-10 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
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4PST
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![BU of 4pst by Molmil](/molmil-images/mine/4pst) | Multiconformer model for Escherichia coli dihydrofolate reductase at 277 K | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | Deposit date: | 2014-03-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
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4PSS
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![BU of 4pss by Molmil](/molmil-images/mine/4pss) | Multiconformer model for Escherichia coli dihydrofolate reductase at 100K | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | Deposit date: | 2014-03-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.849 Å) | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
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4PTJ
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![BU of 4ptj by Molmil](/molmil-images/mine/4ptj) | Ensemble model for Escherichia coli dihydrofolate reductase at 277K | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | Deposit date: | 2014-03-10 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
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7S1G
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![BU of 7s1g by Molmil](/molmil-images/mine/7s1g) | wild-type Escherichia coli stalled ribosome with antibiotic linezolid | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D. | Deposit date: | 2021-09-02 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics. Nat.Struct.Mol.Biol., 29, 2022
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7S1H
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![BU of 7s1h by Molmil](/molmil-images/mine/7s1h) | Wild-type Escherichia coli ribosome with antibiotic linezolid | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D. | Deposit date: | 2021-09-02 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics. Nat.Struct.Mol.Biol., 29, 2022
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6DMK
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![BU of 6dmk by Molmil](/molmil-images/mine/6dmk) | A multiconformer ligand model of an isoxazolyl-benzimidazole ligand bound to the bromodomain of human CREBBP | Descriptor: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, CREB-binding protein, ... | 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 (1.66 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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6DMH
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![BU of 6dmh by Molmil](/molmil-images/mine/6dmh) | A multiconformer ligand model of acylenzyme intermediate of meropenem bound to an SFC-1 E166A mutant | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | 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 (1.3 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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7S1K
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![BU of 7s1k by Molmil](/molmil-images/mine/7s1k) | Cfr-modified Escherichia coli stalled ribosome with antibiotic radezolid | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Tsai, K, Stojkovic, V, Lee, D.J, Young, I.D, Szal, T, Vazquez-Laslop, N, Mankin, A.S, Fraser, J.S, Galonic Fujimori, D. | Deposit date: | 2021-09-02 | Release date: | 2022-01-19 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics. Nat.Struct.Mol.Biol., 29, 2022
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7S1I
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![BU of 7s1i by Molmil](/molmil-images/mine/7s1i) | Wild-type Escherichia coli stalled ribosome with antibiotic radezolid | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D. | Deposit date: | 2021-09-02 | Release date: | 2022-03-02 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics. Nat.Struct.Mol.Biol., 29, 2022
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7S1J
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![BU of 7s1j by Molmil](/molmil-images/mine/7s1j) | Wild-type Escherichia coli ribosome with antibiotic radezolid | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D. | Deposit date: | 2021-09-02 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics. Nat.Struct.Mol.Biol., 29, 2022
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8GCA
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![BU of 8gca by Molmil](/molmil-images/mine/8gca) | Mouse acidic mammalian chitinase, catalytic domain in complex with N,N',N''-triacetylchitotriose at pH 4.74 | Descriptor: | 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-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: | 2023-03-01 | Release date: | 2023-03-15 | 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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