5YC7
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7WTK
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![BU of 7wtk by Molmil](/molmil-images/mine/7wtk) | SARS-CoV-2 Omicron variant spike in complex with Fab XGv286 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv286, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-02-04 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages. Cell Res., 32, 2022
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7WTJ
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![BU of 7wtj by Molmil](/molmil-images/mine/7wtj) | SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv286 | Descriptor: | Heavy chain of XGv286, Light chain of XGv286, Spike protein S1 | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-02-04 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages. Cell Res., 32, 2022
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7WTG
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![BU of 7wtg by Molmil](/molmil-images/mine/7wtg) | SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv051 | Descriptor: | Heavy chain of XGv051, Light chain of XGv051, Spike protein S1 | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-02-04 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages. Cell Res., 32, 2022
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7WTH
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![BU of 7wth by Molmil](/molmil-images/mine/7wth) | SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv264 | Descriptor: | Heavy chain of XGv264, Light chain of XGv264, Spike protein S1 | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-02-04 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages. Cell Res., 32, 2022
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7WTF
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![BU of 7wtf by Molmil](/molmil-images/mine/7wtf) | SARS-CoV-2 Omicron variant spike in complex with Fab XGv051 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv051, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-02-04 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages. Cell Res., 32, 2022
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7WTI
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![BU of 7wti by Molmil](/molmil-images/mine/7wti) | SARS-CoV-2 Omicron variant spike in complex with Fab XGv264 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv264, Light chain of XGv264, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-02-04 | Release date: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages. Cell Res., 32, 2022
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7W7P
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6LBP
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![BU of 6lbp by Molmil](/molmil-images/mine/6lbp) | Structure of the Glutamine Phosphoribosylpyrophosphate Amidotransferase from Arabidopsis thaliana | Descriptor: | Amidophosphoribosyltransferase 2, chloroplastic, IRON/SULFUR CLUSTER | Authors: | Yi, Z, Cao, X, Han, F, Feng, Y. | Deposit date: | 2019-11-14 | Release date: | 2020-04-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.065 Å) | Cite: | Crystal Structure of the Chloroplastic Glutamine Phosphoribosylpyrophosphate Amidotransferase GPRAT2 FromArabidopsis thaliana. Front Plant Sci, 11, 2020
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5Z1C
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![BU of 5z1c by Molmil](/molmil-images/mine/5z1c) | The crystal structure of uPA in complex with 4-Iodobenzylamine at pH7.4 | Descriptor: | 1-(4-iodophenyl)methanamine, Urokinase-type plasminogen activator | Authors: | Jiang, L.G, Zhang, X, Luo, Z.P, Huang, M.D. | Deposit date: | 2017-12-25 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases Rsc Adv, 49, 2018
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7D3I
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![BU of 7d3i by Molmil](/molmil-images/mine/7d3i) | Crystal structure of SARS-CoV-2 main protease in complex with MI-23 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase | Authors: | Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J. | Deposit date: | 2020-09-19 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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6BE0
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![BU of 6be0 by Molmil](/molmil-images/mine/6be0) | AvrA delL154 with IP6, CoA | Descriptor: | AvrA, COENZYME A, INOSITOL HEXAKISPHOSPHATE | Authors: | Labriola, J.M, Nagar, B. | Deposit date: | 2017-10-24 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.438 Å) | Cite: | Structural Analysis of the Bacterial Effector AvrA Identifies a Critical Helix Involved in Substrate Recognition. Biochemistry, 57, 2018
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7WCW
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![BU of 7wcw by Molmil](/molmil-images/mine/7wcw) | Crystal structure of FGFR4(V550L) kinase domain with 7v | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | Authors: | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | Deposit date: | 2021-12-20 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.317 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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7WCT
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![BU of 7wct by Molmil](/molmil-images/mine/7wct) | Crystal structure of FGFR4 kinase domain with 7v | Descriptor: | Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ... | Authors: | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | Deposit date: | 2021-12-20 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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7WCX
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![BU of 7wcx by Molmil](/molmil-images/mine/7wcx) | Crystal structure of FGFR4(V550M) kinase domain with 7v | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | Authors: | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | Deposit date: | 2021-12-20 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.175 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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5ZUG
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![BU of 5zug by Molmil](/molmil-images/mine/5zug) | Structure of the bacterial acetate channel SatP | Descriptor: | Succinate-acetate/proton symporter SatP, nonyl beta-D-glucopyranoside | Authors: | Sun, P.C, Li, J.L, Xiao, Q.J, Guan, Z.Y, Deng, D. | Deposit date: | 2018-05-07 | Release date: | 2018-11-21 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Crystal structure of the bacterial acetate transporter SatP reveals that it forms a hexameric channel. J. Biol. Chem., 293, 2018
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6BVU
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![BU of 6bvu by Molmil](/molmil-images/mine/6bvu) | SFTI-HFRW-1 | Descriptor: | Trypsin inhibitor 1 HFRW-1 | Authors: | Schroeder, C.I. | Deposit date: | 2017-12-13 | Release date: | 2018-12-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1. J.Med.Chem., 61, 2018
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6JKJ
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![BU of 6jkj by Molmil](/molmil-images/mine/6jkj) | Crystal structure of human SPSB2 in the apo-state | Descriptor: | SPRY domain-containing SOCS box protein 2 | Authors: | Luo, Y, Kuang, Z. | Deposit date: | 2019-03-01 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the SPRY domain of human SPSB2 in the apo state. Acta Crystallogr.,Sect.F, 75, 2019
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7DMY
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![BU of 7dmy by Molmil](/molmil-images/mine/7dmy) | The crystal structure of Cpd7 in complex with BPTF bromodomain | Descriptor: | Nucleosome-remodeling factor subunit BPTF, tert-butyl 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate | Authors: | Xiong, L, Guo, Y, Yang, S. | Deposit date: | 2020-12-08 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization. Biochem.Biophys.Res.Commun., 545, 2021
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7DN4
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![BU of 7dn4 by Molmil](/molmil-images/mine/7dn4) | The crystal structure of Cpd8 in complex with BPTF bromodomain | Descriptor: | 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Xiong, L, Guo, Y, Yang, S. | Deposit date: | 2020-12-08 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.841 Å) | Cite: | Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization. Biochem.Biophys.Res.Commun., 545, 2021
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7EKI
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![BU of 7eki by Molmil](/molmil-images/mine/7eki) | human alpha 7 nicotinic acetylcholine receptor in apo-form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Liu, S, Zhao, Y, Sun, D, Tian, C. | Deposit date: | 2021-04-05 | Release date: | 2021-05-19 | Last modified: | 2021-06-16 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structural basis of human alpha 7 nicotinic acetylcholine receptor activation. Cell Res., 31, 2021
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7EKP
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![BU of 7ekp by Molmil](/molmil-images/mine/7ekp) | human alpha 7 nicotinic acetylcholine receptor bound to EVP-6124 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide, ... | Authors: | Liu, S, Zhao, Y, Sun, D, Tian, C. | Deposit date: | 2021-04-06 | Release date: | 2021-05-19 | Last modified: | 2021-06-16 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structural basis of human alpha 7 nicotinic acetylcholine receptor activation. Cell Res., 31, 2021
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7EKT
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![BU of 7ekt by Molmil](/molmil-images/mine/7ekt) | human alpha 7 nicotinic acetylcholine receptor bound to EVP-6124 and PNU-120596 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide, ... | Authors: | Liu, S, Zhao, Y, Sun, D, Tian, C. | Deposit date: | 2021-04-06 | Release date: | 2021-05-19 | Last modified: | 2021-06-16 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Structural basis of human alpha 7 nicotinic acetylcholine receptor activation. Cell Res., 31, 2021
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6JMN
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![BU of 6jmn by Molmil](/molmil-images/mine/6jmn) | Crystal structure of Ostrinia furnacalis Chitinase h complexed with compound 2-8-s2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitinase | Authors: | Jiang, X, Yang, Q. | Deposit date: | 2019-03-12 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors. J.Med.Chem., 63, 2020
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7C83
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![BU of 7c83 by Molmil](/molmil-images/mine/7c83) | Crystal structure of an integral membrane steroid 5-alpha-reductase PbSRD5A | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ren, R.B, Han, Y.F, Xiao, Q.J, Deng, D. | Deposit date: | 2020-05-28 | Release date: | 2021-01-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of steroid reductase SRD5A reveals conserved steroid reduction mechanism. Nat Commun, 12, 2021
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