7D1M
| CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fu, L.F, Gilski, M, Shabalin, I, Gao, G.F, Qi, J.X. | Deposit date: | 2020-09-14 | Release date: | 2020-10-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease. Nat Commun, 11, 2020
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7EFP
| Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (S19W,N330Y) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Lu, G.W, Ye, F, Lin, X. | Deposit date: | 2021-03-22 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis. Signal Transduct Target Ther, 6, 2021
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7EFR
| Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (T27W,N330Y) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Lu, G.W, Ye, F, Lin, X. | Deposit date: | 2021-03-23 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis. Signal Transduct Target Ther, 6, 2021
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7XE4
| structure of a membrane-bound glycosyltransferase | Descriptor: | (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J. | Deposit date: | 2022-03-29 | Release date: | 2023-03-29 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1. Nature, 616, 2023
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6K10
| Non substrate bound state of Staphylococcus Aureus AldH | Descriptor: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase | Authors: | Zhang, Z, Tao, X. | Deposit date: | 2019-05-08 | Release date: | 2020-05-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.78962183 Å) | Cite: | Structural Insight into the Substrate Gating Mechanism by Staphylococcus aureus Aldehyde Dehydrogenase CCS Chemistry, 2, 2020
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7YUY
| Structure of a mutated membrane-bound glycosyltransferase | Descriptor: | (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J. | Deposit date: | 2022-08-18 | Release date: | 2023-03-29 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1. Nature, 616, 2023
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6K0Z
| Substrate bound state of Staphylococcus Aureus AldH | Descriptor: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GLYCEROL | Authors: | Zhang, Z, Tao, X. | Deposit date: | 2019-05-08 | Release date: | 2020-05-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4967258 Å) | Cite: | Structural Insight into the Substrate Gating Mechanism by Staphylococcus aureus Aldehyde Dehydrogenase CCS Chemistry, 2, 2020
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6LRL
| Human cGAS catalytic domain bound with compound s2 | Descriptor: | 3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.655 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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6LRJ
| Human cGAS catalytic domain bound with compound 23 | Descriptor: | 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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6LRE
| Human cGAS catalytic domain bound with compound 3 | Descriptor: | 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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6LRK
| Human cGAS catalytic domain bound with compound 40 | Descriptor: | (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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6LRI
| Human cGAS catalytic domain bound with compound 17 | Descriptor: | 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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5Y8V
| Crystal structure of GAS41 | Descriptor: | MAGNESIUM ION, YEATS domain-containing protein 4 | Authors: | Wang, Y, Hao, Q. | Deposit date: | 2017-08-21 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Identification of the YEATS domain of GAS41 as a pH-dependent reader of histone succinylation Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7XRP
| Cryo-EM structure of SARS-CoV-2 spike protein in complex with nanobody C5G2 (localized refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C5G2 nanobody, Spike protein S1 | Authors: | Liu, L, Sun, H, Jiang, Y, Liu, X, Zhao, D, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2022-05-11 | Release date: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | A potent synthetic nanobody with broad-spectrum activity neutralizes SARS-CoV-2 virus and the Omicron variant BA.1 through a unique binding mode. J Nanobiotechnology, 20, 2022
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7YHK
| Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5 | Descriptor: | 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zheng, Q, Li, S, Li, T, Xue, W, Sun, H. | Deposit date: | 2022-07-13 | Release date: | 2022-08-17 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses. Nat Commun, 13, 2022
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7C8J
| Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2 | Descriptor: | Angiotensin-converting enzyme, SARS-CoV-2 Receptor binding domain, ZINC ION | Authors: | Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F. | Deposit date: | 2020-06-01 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Cross-species recognition of SARS-CoV-2 to bat ACE2. Proc.Natl.Acad.Sci.USA, 118, 2021
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7CCG
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7C8K
| Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F. | Deposit date: | 2020-06-02 | Release date: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cross-species recognition of SARS-CoV-2 to bat ACE2. Proc.Natl.Acad.Sci.USA, 118, 2021
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7E1T
| Crystal structure of Rab9A-GTP-Nde1 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Isoform 2 of Nuclear distribution protein nudE homolog 1, MAGNESIUM ION, ... | Authors: | Zhang, Y, Zhang, T, Ding, J. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Nde1 is a Rab9 effector for loading late endosomes to cytoplasmic dynein motor complex. Structure, 30, 2022
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7DY7
| Discovery of Novel Small-molecule Inhibitors of PD-1/PD-L1 Axis that Promotes PD-L1 Internalization and Degradation | Descriptor: | 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol, Programmed cell death 1 ligand 1 | Authors: | Cheng, Y, Wang, T.Y, Lu, M.L, Jiang, S, Xiao, Y.B. | Deposit date: | 2021-01-20 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation. J.Med.Chem., 65, 2022
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7WRZ
| Local resolution of BD55-5840 Fab and SARS-COV2 Omicron RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5840H, BD55-5840L, ... | Authors: | Zhang, Z.Z, Xiao, J.J. | Deposit date: | 2022-01-28 | Release date: | 2022-06-22 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
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7WRO
| Local structure of BD55-3372 and delta spike | Descriptor: | 3372H, 3372L, Spike protein S1 | Authors: | Liu, P.L. | Deposit date: | 2022-01-27 | Release date: | 2022-06-22 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
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7WRL
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7WR8
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6IQI
| crystal structure of Arabidopsis thaliana Profilin 2 | Descriptor: | Profilin-2 | Authors: | Qiao, Z, Gao, Y. | Deposit date: | 2018-11-08 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and computational examination of theArabidopsisprofilin-Poly-P complex reveals mechanistic details in profilin-regulated actin assembly. J.Biol.Chem., 294, 2019
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