5HA9
| Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer | Descriptor: | Amitriptyline, GLYCEROL, Poly [ADP-ribose] polymerase 1, ... | Authors: | Fu, L, Peng, H, Zhang, L, Ouyang, L. | Deposit date: | 2015-12-30 | Release date: | 2016-03-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (4.01 Å) | Cite: | Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer. Sci Rep, 6, 2016
|
|
5JYY
| Structure-based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-resistant Influenza Viruses | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-enon ic acid, CALCIUM ION, ... | Authors: | Fu, L, Wu, Y, Bi, Y, Zhang, S, Lv, X, Qi, J, Li, Y, Lu, X, Yan, J, Gao, G.F, Li, X. | Deposit date: | 2016-05-15 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-Resistant Influenza Viruses J.Med.Chem., 59, 2016
|
|
7C6S
| |
7C6U
| Crystal structure of SARS-CoV-2 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 | Authors: | Fu, L, Feng, Y, Qi, J, Gao, F.G. | Deposit date: | 2020-05-22 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease. Nat Commun, 11, 2020
|
|
8H0Z
| Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-122 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-11-09 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
|
|
5H4D
| Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 7-AMINO-4-METHYL-CHROMEN-2-ONE, ARG-HIS-LYS, ... | Authors: | Zhang, S, Fu, L, Liu, J, Liu, B. | Deposit date: | 2016-10-31 | Release date: | 2017-11-08 | Last modified: | 2023-04-05 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride To Be Published
|
|
8H13
| Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Closed Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-10-19 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (4.05 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
|
|
8H10
| Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-2 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-10-19 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
|
|
8H14
| Structure of SARS-CoV-1 Spike Protein with Engineered x3 Disulfide (D414C and V969C), Locked-1 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-10-19 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
|
|
8H16
| Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Open Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-11-09 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.35534 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
|
|
8H0Y
| Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-112 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, LINOLEIC ACID, ... | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-11-09 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
|
|
8H11
| Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Closed Conformation | 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: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-11-09 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
|
|
8H15
| Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Closed Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-11-09 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.14182 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
|
|
8H0X
| Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-1 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, LINOLEIC ACID, ... | Authors: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-11-09 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
|
|
8H12
| Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Locked-2 Conformation | 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: | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | Deposit date: | 2022-09-30 | Release date: | 2022-11-09 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.44681 Å) | Cite: | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
|
|
7E57
| Crystal structure of murine GITR-GITRL complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18, ... | Authors: | Zhao, M, Tan, S, Fu, L, Chai, Y, Qi, J, Gao, G.F. | Deposit date: | 2021-02-18 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.302 Å) | Cite: | Atypical TNF-TNFR superfamily binding interface in the GITR-GITRL complex for T cell activation. Cell Rep, 36, 2021
|
|
7B0U
| Stressosome complex from Listeria innocua | Descriptor: | RsbR protein, RsbS protein | Authors: | Miksys, A, Fu, L, Madej, M.G, Ziegler, C. | Deposit date: | 2020-11-22 | Release date: | 2021-12-01 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | Molecular insights into intra-complex signal transmission during stressosome activation. Commun Biol, 5, 2022
|
|
8ZJV
| Crystal Structure of the ERK2 complexed with 5-Iodotubercidin | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Yang, Y, Fu, L, Chen, R, Cheng, H, Sun, X. | Deposit date: | 2024-05-15 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the ERK2 complexed with 5-Iodotubercidin To Be Published
|
|
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
|
|
7BRP
| |
7EIN
| SARS-CoV-2 main proteinase complex with microbial metabolite leupeptin | Descriptor: | 3C-like proteinase, leupeptin | Authors: | Fu, L.F, Feng, Y, Qi, J.X, Gao, G.F. | Deposit date: | 2021-03-31 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of Microbial Metabolite Leupeptin in the Treatment of COVID-19 by Traditional Chinese Medicine Herbs. Mbio, 12, 2021
|
|
7BRO
| Crystal structure of the 2019-nCoV main protease | Descriptor: | 3C-like proteinase | Authors: | Fu, L.F. | Deposit date: | 2020-03-29 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease. Nat Commun, 11, 2020
|
|
8YIK
| pP1192R-ATPase-domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA topoisomerase 2 | Authors: | Sun, J.Q, Liu, R.L. | Deposit date: | 2024-02-29 | Release date: | 2024-09-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis for difunctional mechanism of m-AMSA against African swine fever virus pP1192R. Nucleic Acids Res., 2024
|
|
8YGH
| pP1192R-apo open state | Descriptor: | DNA topoisomerase 2 | Authors: | Sun, J.Q, Liu, R.L. | Deposit date: | 2024-02-26 | Release date: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Structural basis for difunctional mechanism of m-AMSA against African swine fever virus pP1192R. Nucleic Acids Res., 2024
|
|
8YGG
| pP1192R-apo Closed state | Descriptor: | DNA topoisomerase 2 | Authors: | Sun, J.Q, Liu, R.L. | Deposit date: | 2024-02-26 | Release date: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural basis for difunctional mechanism of m-AMSA against African swine fever virus pP1192R. Nucleic Acids Res., 2024
|
|