5HIY
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![BU of 5hiy by Molmil](/molmil-images/mine/5hiy) | Crystal structure of PEDV NSP9 Mutant-C59A | Descriptor: | Non-structural protein 9 | Authors: | Deng, F, Peng, G. | Deposit date: | 2016-01-12 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Dimerization of Coronavirus nsp9 with Diverse Modes Enhances Its Nucleic Acid Binding Affinity. J.Virol., 92, 2018
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8SYC
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![BU of 8syc by Molmil](/molmil-images/mine/8syc) | Crystal structure of PDE3B in complex with GSK4394835A | Descriptor: | MAGNESIUM ION, [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | Authors: | Concha, N.O, Nolte, R. | Deposit date: | 2023-05-25 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library. J.Med.Chem., 67, 2024
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7CYC
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![BU of 7cyc by Molmil](/molmil-images/mine/7cyc) | Cryo-EM structures of Alphacoronavirus spike glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Song, X, Shi, Y, Ding, W, Liu, Z.J, Peng, G. | Deposit date: | 2020-09-03 | Release date: | 2020-12-23 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Cryo-EM analysis of the HCoV-229E spike glycoprotein reveals dynamic prefusion conformational changes. Nat Commun, 12, 2021
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7CYD
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![BU of 7cyd by Molmil](/molmil-images/mine/7cyd) | Cryo-EM structures of Alphacoronavirus spike glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Song, X, Shi, Y, Ding, W, Liu, Z.J, Peng, G. | Deposit date: | 2020-09-03 | Release date: | 2020-12-23 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Cryo-EM analysis of the HCoV-229E spike glycoprotein reveals dynamic prefusion conformational changes. Nat Commun, 12, 2021
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5HIZ
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![BU of 5hiz by Molmil](/molmil-images/mine/5hiz) | The structure of PEDV NSP9 | Descriptor: | Non-structural protein 9 | Authors: | Deng, F, Peng, G. | Deposit date: | 2016-01-12 | Release date: | 2017-01-25 | Last modified: | 2019-07-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Dimerization of Coronavirus nsp9 with Diverse Modes Enhances Its Nucleic Acid Binding Affinity. J.Virol., 92, 2018
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4QQN
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![BU of 4qqn by Molmil](/molmil-images/mine/4qqn) | Protein arginine methyltransferase 3 in complex with compound MTV044246 | Descriptor: | 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ... | Authors: | Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3). J. Med. Chem., 61, 2018
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6LU5
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![BU of 6lu5 by Molmil](/molmil-images/mine/6lu5) | Crystal structure of BPTF-BRD with ligand DCBPin5 bound | Descriptor: | 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2020-01-25 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.86527729 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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6LU6
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![BU of 6lu6 by Molmil](/molmil-images/mine/6lu6) | Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound | Descriptor: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2020-01-26 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.970063 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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6LN0
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![BU of 6ln0 by Molmil](/molmil-images/mine/6ln0) | |
3QK5
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![BU of 3qk5 by Molmil](/molmil-images/mine/3qk5) | Crystal structure of fatty acid amide hydrolase with small molecule inhibitor | Descriptor: | (3-{(3R)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile, 1,2-ETHANEDIOL, Fatty-acid amide hydrolase 1, ... | Authors: | Min, X, Walker, N.P.C, Wang, Z. | Deposit date: | 2011-01-31 | Release date: | 2011-04-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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8I4L
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![BU of 8i4l by Molmil](/molmil-images/mine/8i4l) | Capsid structure of the Cyanophage P-SCSP1u | Descriptor: | The capsid protein(gp 19) of P-SCSP1u | Authors: | Liu, H, Dang, S. | Deposit date: | 2023-01-19 | Release date: | 2023-10-25 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Cryo-EM structure of cyanophage P-SCSP1u offers insights into DNA gating and evolution of T7-like viruses. Nat Commun, 14, 2023
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8I4M
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![BU of 8i4m by Molmil](/molmil-images/mine/8i4m) | Portal-tail complex structure of the Cyanophage P-SCSP1u | Descriptor: | Adaptor protein(gp22) of the cyanophage P-SCSP1u, Fiber protein(gp 28) of the cyanophage P-SCSP1u, Nozzle protein(gp 23) of the cyanophage P-SCSP1u, ... | Authors: | Liu, H, Dang, S. | Deposit date: | 2023-01-19 | Release date: | 2023-11-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Cryo-EM structure of cyanophage P-SCSP1u offers insights into DNA gating and evolution of T7-like viruses. Nat Commun, 14, 2023
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7DHJ
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![BU of 7dhj by Molmil](/molmil-images/mine/7dhj) | The co-crystal structure of SARS-CoV-2 main protease with the peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pent-4-ynamide | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide, 3C-like proteinase | Authors: | Shang, L.Q, Wang, H, Deng, W.L, Xing, S, Wang, Y.X. | Deposit date: | 2020-11-15 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate. Eur.J.Med.Chem., 238, 2022
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7DGB
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![BU of 7dgb by Molmil](/molmil-images/mine/7dgb) | |
7DGH
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![BU of 7dgh by Molmil](/molmil-images/mine/7dgh) | |
7DGF
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![BU of 7dgf by Molmil](/molmil-images/mine/7dgf) | |
7DGG
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![BU of 7dgg by Molmil](/molmil-images/mine/7dgg) | |
7DGI
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![BU of 7dgi by Molmil](/molmil-images/mine/7dgi) | |
6IVC
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![BU of 6ivc by Molmil](/molmil-images/mine/6ivc) | The full length of TGEV nsp1 | Descriptor: | nsp1 protein | Authors: | Shen, Z, Peng, G.Q. | Deposit date: | 2018-12-03 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A conserved region of nonstructural protein 1 from alphacoronaviruses inhibits host gene expression and is critical for viral virulence. J.Biol.Chem., 294, 2019
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6IVD
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![BU of 6ivd by Molmil](/molmil-images/mine/6ivd) | TGEV nsp1 mutant - 91-95sg | Descriptor: | nsp1 mutant protein | Authors: | Shen, Z, Peng, G.Q. | Deposit date: | 2018-12-03 | Release date: | 2019-08-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.975 Å) | Cite: | A conserved region of nonstructural protein 1 from alphacoronaviruses inhibits host gene expression and is critical for viral virulence. J.Biol.Chem., 294, 2019
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5Y4L
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![BU of 5y4l by Molmil](/molmil-images/mine/5y4l) | PRRSV nsp4 | Descriptor: | Non-structural protein | Authors: | Shi, Y.J, Gang, Y, Peng, G.Q. | Deposit date: | 2017-08-04 | Release date: | 2018-01-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Identification of two antiviral inhibitors targeting 3C-like serine/3C-like protease of porcine reproductive and respiratory syndrome virus and porcine epidemic diarrhea virus. Vet. Microbiol., 213, 2018
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5YM8
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![BU of 5ym8 by Molmil](/molmil-images/mine/5ym8) | |
5YM6
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![BU of 5ym6 by Molmil](/molmil-images/mine/5ym6) | |
7V97
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![BU of 7v97 by Molmil](/molmil-images/mine/7v97) | Arsenic-bound p53 DNA-binding domain mutant V272M | Descriptor: | ARSENIC, Cellular tumor antigen p53, ZINC ION | Authors: | Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X. | Deposit date: | 2021-08-24 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties. Sci Transl Med, 15, 2023
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7EAX
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![BU of 7eax by Molmil](/molmil-images/mine/7eax) | Crystal complex of p53-V272M and antimony ion | Descriptor: | ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION | Authors: | Lu, M, Tang, Y. | Deposit date: | 2021-03-08 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations. Cell Rep, 39, 2022
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