6T5B
 
 | | KRasG12C ligand complex | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Phillips, C. | | Deposit date: | 2019-10-15 | | Release date: | 2020-02-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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6T5U
 | | KRasG12C ligand complex | | Descriptor: | 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Phillips, C. | | Deposit date: | 2019-10-17 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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6T5V
 | | KRasG12C ligand complex | | Descriptor: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Phillips, C. | | Deposit date: | 2019-10-17 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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7CAL
 | | Cryo-EM Structure of the Hyperpolarization-Activated Inwardly Rectifying Potassium Channel KAT1 from Arabidopsis | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Potassium channel KAT1 | | Authors: | Li, S.Y, Yang, F, Sun, D.M, Zhang, Y, Zhang, M.G, Zhou, P, Liu, S.L, Zhang, Y.N, Zhang, L.H, Tian, C.L. | | Deposit date: | 2020-06-09 | | Release date: | 2020-07-29 | | Last modified: | 2020-11-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of the hyperpolarization-activated inwardly rectifying potassium channel KAT1 from Arabidopsis.
Cell Res., 30, 2020
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8HKY
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8HTV
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a | | Descriptor: | 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone, 3C-like proteinase | | Authors: | Su, H.X, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2022-12-21 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group.
J.Med.Chem., 66, 2023
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8HKU
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8HKX
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8HKV
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8HKZ
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8HL2
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6M71
 | | SARS-Cov-2 RNA-dependent RNA polymerase in complex with cofactors | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase | | Authors: | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | | Deposit date: | 2020-03-16 | | Release date: | 2020-04-01 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
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6ONU
 | | Complex structure of WhiB1 and region 4 of SigA in P21 space group. | | Descriptor: | DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, RNA polymerase sigma factor SigA, ... | | Authors: | Wan, T, Li, S.R, Beltran, D.G, Schacht, A, Becker, D.C, Zhang, L.M. | | Deposit date: | 2019-04-22 | | Release date: | 2019-11-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis of non-canonical transcriptional regulation by the sigma A-bound iron-sulfur protein WhiB1 in M. tuberculosis.
Nucleic Acids Res., 48, 2020
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6ONY
 | | BRD2_Bromodomain1 complex with inhibitor 744 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | | Authors: | Longenecker, K.L, Bigelow, L. | | Deposit date: | 2019-04-22 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
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6ONO
 | | Complex structure of WhiB1 and region 4 of SigA in C2221 space group | | Descriptor: | DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, RNA polymerase sigma factor SigA, ... | | Authors: | Wan, T, Li, S.R, Beltran, D.G, Schacht, A, Becker, D.C, Zhang, L.M. | | Deposit date: | 2019-04-22 | | Release date: | 2019-11-27 | | Last modified: | 2020-01-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis of non-canonical transcriptional regulation by the sigma A-bound iron-sulfur protein WhiB1 in M. tuberculosis.
Nucleic Acids Res., 48, 2020
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3KDU
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3KDT
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8GSF
 | | Echovirus3 empty particle in complex with 6D10 Fab (sideling) | | Descriptor: | Heavy chain of 6D10, Light chain of 6D10, VP0, ... | | Authors: | Wang, X, Fu, W. | | Deposit date: | 2022-09-06 | | Release date: | 2022-12-14 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
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8GSD
 | | Echovirus3 full particle in complex with 6D10 Fab | | Descriptor: | Genome polyprotein, Genome polyprotein (Fragment), Heavy chain of 6D10, ... | | Authors: | Wang, X, Fu, W. | | Deposit date: | 2022-09-06 | | Release date: | 2022-12-14 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
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8GSE
 | | Echovirus3 capsid protein in complex with 6D10 Fab (upright) | | Descriptor: | Heavy chain of 6D10, Light chain of 6D10, VP0, ... | | Authors: | Wang, X, Fu, W. | | Deposit date: | 2022-09-06 | | Release date: | 2022-12-14 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
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8GSC
 | | Echovirus3 A-particle in complex with 6D10 Fab | | Descriptor: | Heavy chain of 6D10, Light chain of 6D10, VP1, ... | | Authors: | Wang, X, Fu, W. | | Deposit date: | 2022-09-06 | | Release date: | 2022-12-14 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
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4R5Y
 | | The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | | Descriptor: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | | Authors: | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | | Deposit date: | 2014-08-22 | | Release date: | 2016-02-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Mol.Cancer Ther., 14, 2015
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8GRM
 | | Cryo-EM structure of PRC1 bound to H2AK119-UbcH5b-Ub nucleosome | | Descriptor: | COMMD3 protein, DNA (144-MER), DNA (145-MER), ... | | Authors: | Ai, H.S, Zebin, T, Zhihend, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L. | | Deposit date: | 2022-09-02 | | Release date: | 2023-04-12 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023
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7BWJ
 | | crystal structure of SARS-CoV-2 antibody with RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | | Authors: | Wang, X, Ge, J. | | Deposit date: | 2020-04-14 | | Release date: | 2020-06-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Human neutralizing antibodies elicited by SARS-CoV-2 infection.
Nature, 584, 2020
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8GRQ
 | | Cryo-EM structure of BRCA1/BARD1 bound to H2AK127-UbcH5c-Ub nucleosome | | Descriptor: | BRCA1-associated RING domain protein 1, Breast cancer type 1 susceptibility protein, DNA (147-MER), ... | | Authors: | Ai, H.S, Zebin, T, Zhiheng, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L. | | Deposit date: | 2022-09-02 | | Release date: | 2023-04-12 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023
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