7C2K
 
 | | COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ... | | Authors: | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | | Deposit date: | 2020-05-07 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
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7KPF
 | | NME2 bound to myristoyl-CoA | | Descriptor: | GLYCEROL, MAGNESIUM ION, Nucleoside diphosphate kinase B, ... | | Authors: | Price, I.R, Lin, H. | | Deposit date: | 2020-11-11 | | Release date: | 2022-02-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | A Chemical Proteomic Approach reveals the regulation of NME1/2 and cancer metastasis by Long-Chain Fatty Acyl Coenzyme A
To Be Published
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8JWZ
 | | Crystal structure of A2AR-T4L in complex with AB928 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | | Authors: | Weng, Y, Chen, Y, Xu, Y, Song, G. | | Deposit date: | 2023-06-29 | | Release date: | 2023-08-16 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
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8JWY
 | | Crystal structure of A2AR-T4L in complex with 2-118 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | | Authors: | Weng, Y, Chen, Y, Xu, Y, Song, G. | | Deposit date: | 2023-06-29 | | Release date: | 2023-08-16 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
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8JF3
 | | C-Src in complex with compound 9 | | Descriptor: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Zhang, Z.M, Huang, H.S. | | Deposit date: | 2023-05-17 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.84647632 Å) | | Cite: | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
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7D7L
 | | The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155 | | Descriptor: | 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ... | | Authors: | Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2020-10-04 | | Release date: | 2021-04-21 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
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7D7K
 | | The crystal structure of SARS-CoV-2 papain-like protease in apo form | | Descriptor: | 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ... | | Authors: | Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2020-10-04 | | Release date: | 2021-04-21 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
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7F3N
 | | Structure of PopP2 in apo form | | Descriptor: | Type III effector protein popp2 | | Authors: | Xia, Y, Zhang, Z.M. | | Deposit date: | 2021-06-16 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.351856 Å) | | Cite: | Secondary-structure switch regulates the substrate binding of a YopJ family acetyltransferase.
Nat Commun, 12, 2021
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7WO2
 | | SARS-CoV-2 3CLPro Peptidomimetic Inhibitor TPM5 | | Descriptor: | 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S}-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide | | Authors: | Wang, Y, Ye, S. | | Deposit date: | 2022-01-20 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
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7WO3
 | | SARS-CoV-2 3CLpro | | Descriptor: | (2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide, 3C-like proteinase | | Authors: | Wang, Y, Ye, S. | | Deposit date: | 2022-01-20 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
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7WOF
 | | SARS-CoV-2 3CLpro | | Descriptor: | (2S,3S)-3-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase | | Authors: | Wang, Y, Ye, S. | | Deposit date: | 2022-01-21 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
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7WO1
 | | Discovery of SARS-CoV-2 3CLpro peptidomimetic inhibitors through H41-specific protein-ligand interactions | | Descriptor: | 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide | | Authors: | Wang, Y, Ye, S. | | Deposit date: | 2022-01-20 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
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7WOH
 | | SARS-CoV-2 3CLpro | | Descriptor: | (2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide, 3C-like proteinase | | Authors: | Wang, Y, Ye, S. | | Deposit date: | 2022-01-21 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
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7C1E
 | | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Y127W) | | Descriptor: | Epimerase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wu, Y.F, Zhou, J.Y, Liu, Y.F, Xu, G.C, Ni, Y. | | Deposit date: | 2020-05-03 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Engineering an Alcohol Dehydrogenase from Kluyveromyces polyspora for Efficient Synthesis of Ibrutinib Intermediate
Adv.Synth.Catal., 2021
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6CU7
 | | Alpha Synuclein fibril formed by full length protein - Rod Polymorph | | Descriptor: | Alpha-synuclein | | Authors: | Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L. | | Deposit date: | 2018-03-23 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
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6CU8
 | | Alpha Synuclein fibril formed by full length protein - Twister Polymorph | | Descriptor: | Alpha-synuclein | | Authors: | Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L. | | Deposit date: | 2018-03-23 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
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2GTY
 | | Crystal structure of unliganded griffithsin | | Descriptor: | 1,2-ETHANEDIOL, Griffithsin, SULFATE ION | | Authors: | Ziolkowska, N.E, Wlodawer, A. | | Deposit date: | 2006-04-28 | | Release date: | 2006-08-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Domain-swapped structure of the potent antiviral protein griffithsin and its mode of carbohydrate binding.
Structure, 14, 2006
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2GUC
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2GUD
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2GUE
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2GUX
 | | Selenomethionine derivative of griffithsin | | Descriptor: | SULFATE ION, griffithsin | | Authors: | Ziolkowska, N.E, Wlodawer, A. | | Deposit date: | 2006-05-01 | | Release date: | 2006-08-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Domain-swapped structure of the potent antiviral protein griffithsin and its mode of carbohydrate binding.
Structure, 14, 2006
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