5E6P
 
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6K9H
 | | Human LXR-beta in complex with an agonist | | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | | Authors: | Zhang, Z, Zhou, H. | | Deposit date: | 2019-06-15 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020
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6K9G
 | | Human LXR-beta in complex with an agonist | | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{R},3~{R})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | | Authors: | Zhang, Z, Zhou, H. | | Deposit date: | 2019-06-15 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020
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6JFW
 | | Crystal structure of PA0833 periplasmic domain from Pseudomonas aeruginosa reveals an unexpected enlarged peptidoglycan binding pocket | | Descriptor: | PA0833-PD protein | | Authors: | Lin, X, Ye, F, Lin, S, Yang, F.L, Chen, Z.M, Cao, Y, Chen, Z.J, Gu, J, Lu, G.W. | | Deposit date: | 2019-02-12 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Crystal structure of PA0833 periplasmic domain from Pseudomonas aeruginosa reveals an unexpected enlarged peptidoglycan binding pocket.
Biochem. Biophys. Res. Commun., 511, 2019
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6K15
 | | RSC substrate-recruitment module | | Descriptor: | Chromatin structure-remodeling complex protein RSC3, Chromatin structure-remodeling complex protein RSC30, Chromatin structure-remodeling complex protein RSC58, ... | | Authors: | Ye, Y.P, Wu, H, Chen, K.J, Verma, N, Cairns, B, Gao, N, Chen, Z.C. | | Deposit date: | 2019-05-09 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the RSC complex bound to the nucleosome.
Science, 366, 2019
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1RYG
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7BXO
 | | Crystal structure of the toxin-antitoxin with AMP-PNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Toxin-antitoxin system antidote Mnt family, ... | | Authors: | Ouyang, S.Y, Zhen, X.K. | | Deposit date: | 2020-04-20 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Novel polyadenylylation-dependent neutralization mechanism of the HEPN/MNT toxin/antitoxin system.
Nucleic Acids Res., 48, 2020
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4GFN
 | | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic | | Descriptor: | (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL | | Authors: | Bensen, D.C, Trzoss, M, Tari, L.W. | | Deposit date: | 2012-08-03 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
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1RYV
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3D45
 | | Crystal structure of mouse PARN in complex with m7GpppG | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Poly(A)-specific ribonuclease PARN | | Authors: | Wu, M, Song, H. | | Deposit date: | 2008-05-13 | | Release date: | 2009-03-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of m(7)GpppG binding to poly(A)-specific ribonuclease.
Structure, 17, 2009
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6KJZ
 | | Crystal structure of PDE4D catalytic domain complexed with compound 1 | | Descriptor: | 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | | Deposit date: | 2019-07-23 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.200001 Å) | | Cite: | Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia.
J.Med.Chem., 63, 2020
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6KMH
 | | The crystal structure of CASK/Mint1 complex | | Descriptor: | Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ... | | Authors: | Li, W, Feng, W. | | Deposit date: | 2019-07-31 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion.
Cell Discov, 6, 2020
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7QK4
 | | EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | Deposit date: | 2021-12-17 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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7QJU
 | | EED in complex with PRC2 allosteric inhibitor compound 7 | | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | Deposit date: | 2021-12-17 | | Release date: | 2022-04-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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7QJG
 | | EED in complex with PRC2 allosteric inhibitor compound 6 | | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | Deposit date: | 2021-12-16 | | Release date: | 2022-04-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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5W0Q
 | | CREBBP Bromodomain in complex with Cpd17 (N,2,7-trimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxamide) | | Descriptor: | (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide, CREB-binding protein, SULFATE ION | | Authors: | Murray, J.M. | | Deposit date: | 2017-05-31 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
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8H08
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8H07
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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: | 2024-09-25 | | 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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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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8I13
 | | Cryo-EM structure of 6-subunit Smc5/6 | | Descriptor: | MMS21 isoform 1, NSE3 isoform 1, Non-structural maintenance of chromosomes element 1 homolog, ... | | Authors: | Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Duo, J, Zhenguo, C, Wang, L. | | Deposit date: | 2023-01-12 | | Release date: | 2024-06-26 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
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8I4V
 | | Cryo-EM structure of 5-subunit Smc5/6 arm region | | Descriptor: | DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ... | | Authors: | Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Zhenguo, C, Wang, L. | | Deposit date: | 2023-01-21 | | Release date: | 2024-06-26 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (5.97 Å) | | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
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8I4W
 | | Cryo-EM structure of 5-subunit Smc5/6 head region | | Descriptor: | DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 5, ... | | Authors: | Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Cheng, T, Duo, J, Zhenguo, C, Wang, L. | | Deposit date: | 2023-01-21 | | Release date: | 2024-06-26 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (6.01 Å) | | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
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4ASK
 | | CRYSTAL STRUCTURE OF JMJD3 WITH GSK-J1 | | Descriptor: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | | Authors: | Chung, C, Mosley, J, Liddle, J. | | Deposit date: | 2012-05-01 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
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3KWW
 | | Crystal structure of the 'restriction triad' mutant of HLA B*3508, beta-2-microglobulin and EBV peptide | | Descriptor: | ACETIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J. | | Deposit date: | 2009-12-01 | | Release date: | 2010-06-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 2010
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