4HXZ
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![BU of 4hxz by Molmil](/molmil-images/mine/4hxz) | 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 activity. | Descriptor: | 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, Topoisomerase IV, subunit B | Authors: | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | Deposit date: | 2012-11-12 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 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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4HXW
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![BU of 4hxw by Molmil](/molmil-images/mine/4hxw) | 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 activity. | Descriptor: | (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL | Authors: | Bensen, D.C, Trzoss, M, Tari, L.W. | Deposit date: | 2012-11-12 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 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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5Z6Z
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![BU of 5z6z by Molmil](/molmil-images/mine/5z6z) | Crystal structure of human DUX4 homeodomains bound to DNA | Descriptor: | DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4 | Authors: | Li, Y.Y, Wu, B.X, Gan, J.H. | Deposit date: | 2018-01-26 | Release date: | 2018-10-31 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural basis for multiple gene regulation by human DUX4. Biochem. Biophys. Res. Commun., 505, 2018
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6A5W
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![BU of 6a5w by Molmil](/molmil-images/mine/6a5w) | FXR-LBD with HNC143 and SRC1 | Descriptor: | 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1 | Authors: | Wang, N, Liu, J. | Deposit date: | 2018-06-25 | Release date: | 2018-10-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding J. Biol. Chem., 293, 2018
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4EJS
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![BU of 4ejs by Molmil](/molmil-images/mine/4ejs) | Structure of yeast elongator subcomplex Elp456 | Descriptor: | Elongator complex protein 4, Elongator complex protein 5, Elongator complex protein 6 | Authors: | Lin, Z, Zhao, W, Long, J, Shen, Y. | Deposit date: | 2012-04-07 | Release date: | 2012-05-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.606 Å) | Cite: | Crystal structure of elongator subcomplex Elp4-6 J.Biol.Chem., 287, 2012
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6A5Y
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![BU of 6a5y by Molmil](/molmil-images/mine/6a5y) | Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC143 and 9cRA and SRC1 | Descriptor: | (9cis)-retinoic acid, 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ... | Authors: | Wang, N, Liu, J. | Deposit date: | 2018-06-25 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding J. Biol. Chem., 293, 2018
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6A5X
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![BU of 6a5x by Molmil](/molmil-images/mine/6a5x) | FXR-LBD with HNC180 and SRC1 | Descriptor: | 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | Authors: | Wang, N, Liu, J. | Deposit date: | 2018-06-25 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding J. Biol. Chem., 293, 2018
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6A5Z
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![BU of 6a5z by Molmil](/molmil-images/mine/6a5z) | Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC180 and 9cRA and SRC1 | Descriptor: | (9cis)-retinoic acid, 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ... | Authors: | Wang, N, Liu, J. | Deposit date: | 2018-06-25 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding J. Biol. Chem., 293, 2018
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6A60
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![BU of 6a60 by Molmil](/molmil-images/mine/6a60) | Crystal structure of human FXR/RXR-LBD heterodimer bound to GW4064 and 9cRA and SRC1 | Descriptor: | (9cis)-retinoic acid, 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, ... | Authors: | Wang, N, Liu, J. | Deposit date: | 2018-06-25 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding J. Biol. Chem., 293, 2018
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5XM8
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![BU of 5xm8 by Molmil](/molmil-images/mine/5xm8) | |
8SJ7
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![BU of 8sj7 by Molmil](/molmil-images/mine/8sj7) | |
5XMA
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![BU of 5xma by Molmil](/molmil-images/mine/5xma) | |
4DNW
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![BU of 4dnw by Molmil](/molmil-images/mine/4dnw) | Crystal structure of UVB-resistance protein UVR8 | Descriptor: | AT5g63860/MGI19_6 | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Wang, J, Shi, Y. | Deposit date: | 2012-02-09 | Release date: | 2012-03-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.773 Å) | Cite: | Structural basis of ultraviolet-B perception by UVR8. Nature, 484, 2012
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5XM9
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![BU of 5xm9 by Molmil](/molmil-images/mine/5xm9) | |
8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | Descriptor: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.258 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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7VQ1
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![BU of 7vq1 by Molmil](/molmil-images/mine/7vq1) | Structure of Apo-hsTRPM2 channel | Descriptor: | Transient receptor potential cation channel subfamily M member 2 | Authors: | Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W. | Deposit date: | 2021-10-18 | Release date: | 2021-12-22 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel. Cell Rep, 37, 2021
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7VQ2
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![BU of 7vq2 by Molmil](/molmil-images/mine/7vq2) | Structure of Apo-hsTRPM2 channel TM domain | Descriptor: | Transient receptor potential cation channel subfamily M member 2 | Authors: | Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W. | Deposit date: | 2021-10-18 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel. Cell Rep, 37, 2021
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6J1U
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![BU of 6j1u by Molmil](/molmil-images/mine/6j1u) | influenza virus nucleoprotein with a specific inhibitor | Descriptor: | Nucleoprotein, ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | Authors: | Pang, B, Zhang, W.Z, Zhang, H.M, Hao, Q. | Deposit date: | 2018-12-29 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a Novel Specific Inhibitor Targeting Influenza A Virus Nucleoprotein with Pleiotropic Inhibitory Effects on Various Steps of the Viral Life Cycle. J.Virol., 95, 2021
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4GNF
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![BU of 4gnf by Molmil](/molmil-images/mine/4gnf) | Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3 peptide 1-15 | Descriptor: | Histone H3.3, Histone-lysine N-methyltransferase NSD3, ZINC ION | Authors: | Li, F, He, C, Wu, J, Shi, Y. | Deposit date: | 2012-08-17 | Release date: | 2013-01-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition. J.Biol.Chem., 288, 2013
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3RER
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![BU of 3rer by Molmil](/molmil-images/mine/3rer) | Crystal structure of E. coli Hfq in complex with AU6A RNA and ADP | Descriptor: | 5'-R(*AP*UP*UP*UP*UP*UP*UP*A)-3', ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wang, W.W, Wu, J.H, Shi, Y.Y. | Deposit date: | 2011-04-05 | Release date: | 2011-10-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cooperation of Escherichia coli Hfq hexamers in DsrA binding. Genes Dev., 25, 2011
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4GNE
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![BU of 4gne by Molmil](/molmil-images/mine/4gne) | Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3 peptide 1-7 | Descriptor: | Histone H3.3, Histone-lysine N-methyltransferase NSD3, ZINC ION | Authors: | Li, F, He, C, Wu, J, Shi, Y. | Deposit date: | 2012-08-17 | Release date: | 2013-01-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition. J.Biol.Chem., 288, 2013
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6JKM
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![BU of 6jkm by Molmil](/molmil-images/mine/6jkm) | Crystal structure of BubR1 kinase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | Deposit date: | 2019-03-01 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules. Cell Res., 29, 2019
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4MQU
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![BU of 4mqu by Molmil](/molmil-images/mine/4mqu) | Human GKRP complexed to AMG-3969 and S6P | Descriptor: | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | Authors: | St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L. | Deposit date: | 2013-09-16 | Release date: | 2014-05-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles. J.Med.Chem., 57, 2014
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4GND
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![BU of 4gnd by Molmil](/molmil-images/mine/4gnd) | Crystal Structure of NSD3 tandem PHD5-C5HCH domains | Descriptor: | Histone-lysine N-methyltransferase NSD3, ZINC ION | Authors: | Li, F, He, C, Wu, J, Shi, Y. | Deposit date: | 2012-08-17 | Release date: | 2013-01-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition. J.Biol.Chem., 288, 2013
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