8AI0
 
 | | Small molecular stabilizer for ERalpha and 14-3-3sigma (1080268) | | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-N-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | | Deposit date: | 2022-07-25 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
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8ARX
 | | Small molecular stabilizer for ERalpha and 14-3-3sigma (1074378) | | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | | Deposit date: | 2022-08-17 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
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5JZC
 | | helical filament | | Descriptor: | DNA repair protein RAD51 homolog 1 | | Authors: | Short, J, Liu, Y. | | Deposit date: | 2016-05-16 | | Release date: | 2016-09-21 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | High-resolution structure of the presynaptic RAD51 filament on single-stranded DNA by electron cryo-microscopy.
Nucleic Acids Res., 44, 2016
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8RI9
 | | Late alpha-Synuclein fibril structure from liquid-liquid phase separations. | | Descriptor: | Alpha-synuclein | | Authors: | De Simone, A, Barritt, J.D, Chen, S, Cascella, R, Cecchi, C, Bigi, A, Jarvis, J.A, Chiti, F, Dobson, C.M, Fusco, G. | | Deposit date: | 2023-12-18 | | Release date: | 2024-03-06 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-Toxicity Relationship in Intermediate Fibrils from alpha-Synuclein Condensates.
J.Am.Chem.Soc., 146, 2024
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6CUZ
 | | Engineered TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3R)-ethylserine bound as the amino-acrylate | | Descriptor: | (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid, PHOSPHATE ION, SODIUM ION, ... | | Authors: | Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H. | | Deposit date: | 2018-03-27 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
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8B39
 | | Small molecular stabilizer for ERalpha and 14-3-3 (1080299) | | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | | Deposit date: | 2022-09-16 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
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4D3V
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4D3M
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6CUT
 | | Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3S)-isopropylserine bound as the external aldimine | | Descriptor: | (2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name), SODIUM ION, Tryptophan synthase beta chain 1 | | Authors: | Boville, C.E, Scheele, R.A, Buller, A.R, Arnold, F.H. | | Deposit date: | 2018-03-26 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
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4D3J
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | | Descriptor: | 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Holden, J.K, Poulos, T.L. | | Deposit date: | 2014-10-22 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
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6CUV
 | | Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 | | Descriptor: | PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1 | | Authors: | Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H. | | Deposit date: | 2018-03-26 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
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4D3K
 | | Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | | Descriptor: | 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Holden, J.K, Poulos, T.L. | | Deposit date: | 2014-10-22 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.017 Å) | | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
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4D3N
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4D3T
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4D3I
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-((5-(aminomethyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | | Descriptor: | 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), GLYCEROL, N-PROPANOL, ... | | Authors: | Holden, J.K, Poulos, T.L. | | Deposit date: | 2014-10-22 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
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4D3U
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4D3O
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(3-(2-(1H-Pyrrolo(2,3-b)pyridin-6-yl)ethyl)-5-(aminomethyl) phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 6-(2-{3-(aminomethyl)-5-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, CHLORIDE ION, GLYCEROL, ... | | Authors: | Holden, J.K, Poulos, T.L. | | Deposit date: | 2014-10-23 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
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1ZXJ
 | | Crystal structure of the hypthetical Mycoplasma protein, MPN555 | | Descriptor: | Hypothetical protein MG377 homolog | | Authors: | Schulze-Gahmen, U, Aono, S, Shengfeng, C, Yokota, H, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2005-06-08 | | Release date: | 2005-07-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the hypothetical Mycoplasma protein MPN555 suggests a chaperone function.
Acta Crystallogr.,Sect.D, 61, 2005
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5GUT
 | | The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | | Authors: | Chen, S.J, Ye, F. | | Deposit date: | 2016-08-31 | | Release date: | 2017-09-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
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5GUV
 | | The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, ZINC ION | | Authors: | Ye, F, Chen, S.J. | | Deposit date: | 2016-08-31 | | Release date: | 2017-08-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.078 Å) | | Cite: | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
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7VTA
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7VTB
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7WIJ
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2AV8
 | | Y122F MUTANT OF RIBONUCLEOTIDE REDUCTASE FROM ESCHERICHIA COLI | | Descriptor: | FE (II) ION, MU-OXO-DIIRON, RIBONUCLEOTIDE REDUCTASE R2 | | Authors: | Han, S, Arvai, A, Tainer, J.A. | | Deposit date: | 1997-09-30 | | Release date: | 1998-10-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Characterization of Y122F R2 of Escherichia coli ribonucleotide reductase by time-resolved physical biochemical methods and X-ray crystallography.
Biochemistry, 37, 1998
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6WUR
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