6LGL
 
 | | The atomic structure of varicella-zoster virus A-capsid | | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | | Authors: | Zheng, Q, Li, S. | | Deposit date: | 2019-12-05 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Near-atomic cryo-electron microscopy structures of varicella-zoster virus capsids.
Nat Microbiol, 5, 2020
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7XBS
 | | Crystal structure of the adenylation domain of CmnG | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CmnG | | Authors: | Chen, I.H, Wang, Y.L, Chang, C.Y. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis.
Chembiochem, 23, 2022
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7XBU
 | | Crystal structure of the adenylation domain of CmnG in complex with capreomycidine | | Descriptor: | (2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid, CmnG | | Authors: | Chen, I.H, Wang, Y.L, Chang, C.Y. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis.
Chembiochem, 23, 2022
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7XBV
 | | Crystal structure of the adenylation domain of CmnG in complex with AMPCPP | | Descriptor: | CmnG, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PHOSPHATE ION | | Authors: | Chen, I.H, Wang, Y.L, Chang, C.Y. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis.
Chembiochem, 23, 2022
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7XBT
 | | Crystal structure of the adenylation domain of CmnG in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, CmnG, MAGNESIUM ION | | Authors: | Chen, I.H, Wang, Y.L, Chang, C.Y. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis.
Chembiochem, 23, 2022
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6ZK7
 | | Crystal Structure of human PYROXD1/FAD complex | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Pyridine nucleotide-disulfide oxidoreductase domain-containing protein 1 | | Authors: | Meinhart, A, Asanovic, I, Martinez, J, Clausen, T. | | Deposit date: | 2020-06-30 | | Release date: | 2021-05-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The oxidoreductase PYROXD1 uses NAD(P) + as an antioxidant to sustain tRNA ligase activity in pre-tRNA splicing and unfolded protein response.
Mol.Cell, 81, 2021
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6TW3
 | | HumRadA2 in complex with Naphthyl-HPA fragment-peptide chimera | | Descriptor: | (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide, DNA repair and recombination protein RadA, PHOSPHATE ION | | Authors: | Marsh, M.E, Fischer, G, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | | Deposit date: | 2020-01-12 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.352 Å) | | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
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6TW9
 | | HumRadA22F in complex with CAM833 | | Descriptor: | CALCIUM ION, DNA repair and recombination protein RadA, GLYCEROL, ... | | Authors: | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | | Deposit date: | 2020-01-12 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
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9INR
 | | Crystal structure of PIN1 in complex with inhibitor C3 | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ... | | Authors: | Zhang, L.Y. | | Deposit date: | 2024-07-08 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs.
J.Med.Chem., 67, 2024
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3ZPH
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9FKZ
 | | Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors | | Descriptor: | Bcl-2-related protein A1, ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(4-chlorophenyl)methyl]prop-2-enamide | | Authors: | Hargreaves, D. | | Deposit date: | 2024-06-04 | | Release date: | 2024-10-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.684 Å) | | Cite: | Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors.
J.Med.Chem., 67, 2024
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9FL0
 | | Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors | | Descriptor: | Bcl-2-related protein A1, ~{N}-[(4-chlorophenyl)methyl]-~{N}-(4-fluorophenyl)prop-2-enamide | | Authors: | Hargreaves, D. | | Deposit date: | 2024-06-04 | | Release date: | 2024-10-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors.
J.Med.Chem., 67, 2024
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9FKY
 | | Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors | | Descriptor: | Bcl-2-related protein A1, ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-[3-cyano-4-(trifluoromethyl)phenyl]ethyl]propanamide | | Authors: | Hargreaves, D. | | Deposit date: | 2024-06-04 | | Release date: | 2024-10-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.557 Å) | | Cite: | Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors.
J.Med.Chem., 67, 2024
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9DE2
 | | ETO2 MYND bound to MPPL peptide from GATAD2A | | Descriptor: | GATAD2A-MPPL motif and ETO2 NHR4 domain fusion protein, ZINC ION | | Authors: | Williams, D.C. | | Deposit date: | 2024-08-28 | | Release date: | 2024-09-18 | | Method: | SOLUTION NMR | | Cite: | The role of multivalency in the association of the eight twenty-one protein 2 (ETO2) with the nucleosome remodeling and deacetylase (NuRD) complex
To Be Published
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6U57
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6TW4
 | | HumRadA22F in complex with compound 6 | | Descriptor: | CALCIUM ION, DNA repair and recombination protein RadA, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | | Authors: | Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | | Deposit date: | 2020-01-12 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
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6TV3
 | | HumRadA1 in complex with 3-amino-2-naphthoic acid | | Descriptor: | 3-azanylnaphthalene-2-carboxylic acid, DNA repair and recombination protein RadA, GLYCEROL, ... | | Authors: | Marsh, M.E, Hyvonen, M. | | Deposit date: | 2020-01-08 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
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8ZB6
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8ZH6
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6ZH7
 | | Crystal structure of fatty acid photodecarboxylase in the dark state determined by serial femtosecond crystallography at room temperature | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | | Authors: | Hadjidemetriou, K, Coquelle, N, Weik, M, Schlichting, I, Barends, T.R.M, Colletier, J.P. | | Deposit date: | 2020-06-21 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
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8Y4U
 | | Crystal structure of a His1 from oryza sativa | | Descriptor: | FE (III) ION, Fe(II)/2-oxoglutarate-dependent oxygenase | | Authors: | Wang, N, Ma, J.M, Shibing, H, Beibei, Y, He, Z, Dandan, L. | | Deposit date: | 2024-01-30 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of HPPD inhibitor sensitive protein from Oryza sativa.
Biochem.Biophys.Res.Commun., 704, 2024
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8D1Y
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8D24
 | | Crystal structure of Plasmodium falciparum GRP78-NBD in complex with VER155008 | | Descriptor: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Chaperone DnaK, SULFATE ION | | Authors: | Mrozek, A, Park, H.W. | | Deposit date: | 2022-05-27 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
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8D20
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8D22
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