7XFH
 
 | | Structure of nucleosome-AAG complex (A-30I, post-catalytic state) | | Descriptor: | DNA (152-MER), DNA-3-methyladenine glycosylase, Histone H2A type 1, ... | | Authors: | Zheng, L, Tsai, B, Gao, N. | | Deposit date: | 2022-04-01 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural and mechanistic insights into the DNA glycosylase AAG-mediated base excision in nucleosome.
Cell Discov, 9, 2023
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7XFC
 | | Structure of nucleosome-DI complex (-30I, Apo state) | | Descriptor: | DNA (152-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Zheng, L, Tsai, B, Gao, N. | | Deposit date: | 2022-04-01 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural and mechanistic insights into the DNA glycosylase AAG-mediated base excision in nucleosome.
Cell Discov, 9, 2023
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7XFI
 | | Structure of nucleosome-DI complex (-50I, Apo state) | | Descriptor: | DNA (152-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Zheng, L, Tsai, B, Gao, N. | | Deposit date: | 2022-04-01 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural and mechanistic insights into the DNA glycosylase AAG-mediated base excision in nucleosome.
Cell Discov, 9, 2023
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6IRO
 | | the crosslinked complex of ISWI-nucleosome in the ADP-bound state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (167-MER), Histone H2A, ... | | Authors: | Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C. | | Deposit date: | 2018-11-13 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat. Struct. Mol. Biol., 26, 2019
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7WD3
 | | Cryo-EM structure of Drg1 hexamer treated with ATP and benzo-diazaborine | | Descriptor: | 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein | | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-14 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
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6K1P
 | | The complex of ISWI-nucleosome in the ADP.BeF-bound state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (167-MER), ... | | Authors: | Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C. | | Deposit date: | 2019-05-10 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat.Struct.Mol.Biol., 26, 2019
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7WBB
 | | Cryo-EM structure of substrate engaged Drg1 hexamer | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, AFG2 isoform 1, substrate | | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | | Deposit date: | 2021-12-16 | | Release date: | 2022-12-28 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
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5XXB
 | | Large subunit of Toxoplasma gondii ribosome | | Descriptor: | 25S RNA, 5.8S RNA, 5S RNA, ... | | Authors: | Li, Z, Guo, Q, Zheng, L, Ji, Y, Xie, Y, Lai, D, Lun, Z, Suo, X, Gao, N. | | Deposit date: | 2017-07-03 | | Release date: | 2017-08-30 | | Last modified: | 2017-10-18 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Cryo-EM structures of the 80S ribosomes from human parasites Trichomonas vaginalis and Toxoplasma gondii
Cell Res., 27, 2017
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7YKT
 | | Cryo-EM structure of Drg1 hexamer in helical state treated with ADP/AMPPNP/benzo-diazaborine | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein | | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | | Deposit date: | 2022-07-23 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
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7YKL
 | | Cryo-EM structure of Drg1 hexamer treated with AMPPNP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein | | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | | Deposit date: | 2022-07-22 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
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6JYL
 | | The crosslinked complex of ISWI-nucleosome in the ADP.BeF-bound state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (167-MER), ... | | Authors: | Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C. | | Deposit date: | 2019-04-26 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat.Struct.Mol.Biol., 26, 2019
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7YKK
 | | Cryo-EM structure of Drg1 hexamer treated with ADP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein | | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | | Deposit date: | 2022-07-22 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
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7YKZ
 | | Cryo-EM structure of Drg1 hexamer in the planar state treated with ADP/AMPPNP/Diazaborine | | Descriptor: | 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | | Deposit date: | 2022-07-25 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
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7N28
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7MXD
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4OKG
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4WEJ
 | | Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam | | Descriptor: | (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-09-10 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.045 Å) | | Cite: | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
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7S4E
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4P74
 | | PheRS in complex with compound 3a | | Descriptor: | N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-03-25 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
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4P71
 | | Apo PheRS from P. aeuriginosa | | Descriptor: | Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-03-25 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
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5N21
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | Descriptor: | 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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5N1X
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | Descriptor: | B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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5N1Z
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine macrocyclic ligand | | Descriptor: | B-cell lymphoma 6 protein, CHLORIDE ION, pyrazolo-pyrimidine macrocycle | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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5N1V
 | | Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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5N20
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | Descriptor: | B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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