8IME
 
 | | Human cGAS catalytic domain bound with baicalin | | Descriptor: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Xu, Y.C. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
|
|
8IMG
 | | Human cGAS catalytic domain bound with C20 | | Descriptor: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Li, J.M, Xu, Y.C. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
|
|
8IJ1
 | | Protomer 1 and 2 of the asymmetry trimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complex | | Descriptor: | Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ... | | Authors: | Dai, Z, Liang, L, Yin, Y.X. | | Deposit date: | 2023-02-24 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
|
|
5GPK
 | | Crystal structure of Ccp1 mutant | | Descriptor: | Putative nucleosome assembly protein C36B7.08c | | Authors: | Yin, F, Gao, F, Chen, Y. | | Deposit date: | 2016-08-03 | | Release date: | 2016-11-30 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
|
|
5VB9
 | | IL-17A in complex with peptide | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-17A, ... | | Authors: | Antonysamy, S, Russell, M, Zhang, A, Groshong, C, Manglicmot, D, Lu, F, Benach, J, Wasserman, S.R, Zhang, F, Afshar, S, Bina, H, Broughton, H, Chalmers, M, Dodge, J, Espada, A, Jones, S, Ting, J.P, Woodman, M. | | Deposit date: | 2017-03-28 | | Release date: | 2018-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Utilization of peptide phage display to investigate hotspots on IL-17A and what it means for drug discovery.
PLoS ONE, 13, 2018
|
|
5Y26
 | | Crystal structure of native Dpb4-Dpb3 | | Descriptor: | DNA polymerase epsilon subunit D, GLYCEROL, Putative transcription factor C16C4.22 | | Authors: | Chen, Y.H, Li, Y, Gao, F. | | Deposit date: | 2017-07-24 | | Release date: | 2018-01-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Coordinated regulation of heterochromatin inheritance by Dpb3-Dpb4 complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5GPL
 | | Crystal structure of Ccp1 | | Descriptor: | Putative nucleosome assembly protein C36B7.08c | | Authors: | Yin, F, Gao, F, Chen, Y. | | Deposit date: | 2016-08-03 | | Release date: | 2016-11-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
|
|
5ULA
 | |
3E64
 | | Fragment based discovery of JAK-2 inhibitors | | Descriptor: | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2 | | Authors: | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-14 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
3E63
 | | Fragment based discovery of JAK-2 inhibitors | | Descriptor: | 5-phenyl-1H-indazol-3-amine, Tyrosine-protein kinase JAK2 | | Authors: | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-14 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
3E62
 | | Fragment based discovery of JAK-2 inhibitors | | Descriptor: | 5-bromo-1H-indazol-3-amine, Tyrosine-protein kinase JAK2 | | Authors: | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-14 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
8YGJ
 | | SpCas9-MMLV RT-pegRNA-target DNA complex (elongation 28-nt) | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(P*TP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*TP*AP*CP*TP*AP*G)-3'), DNA (51-MER), ... | | Authors: | Shuto, Y, Nakagawa, R, Hoki, M, Omura, S.N, Hirano, H, Itoh, Y, Nureki, O. | | Deposit date: | 2024-02-26 | | Release date: | 2024-06-05 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for pegRNA-guided reverse transcription by a prime editor.
Nature, 631, 2024
|
|
6KX2
 | | Crystal structure of GDP bound RhoA protein | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2019-09-09 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.454 Å) | | Cite: | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
|
|
6KX3
 | | Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2019-09-09 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
|
|
8AG1
 | | Crystal structure of a novel OX40 antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Novel OX40 antibody heavy chain, Novel OX40 antibody light chain, ... | | Authors: | Gao, H, Zhou, A. | | Deposit date: | 2022-07-19 | | Release date: | 2023-07-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.303 Å) | | Cite: | Structural Basis of a Novel Agonistic Anti-OX40 Antibody.
Biomolecules, 12, 2022
|
|
5YS3
 | |
7A9C
 | |
5YS8
 | |
6JFI
 | | The symmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex | | Descriptor: | FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural protein E, ... | | Authors: | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | | Deposit date: | 2019-02-08 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (11 Å) | | Cite: | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
|
|
6JEP
 | | Structure of a neutralizing antibody bound to the Zika envelope protein domain III | | Descriptor: | Genome polyprotein, heavy chain of Fab ZK2B10, light chain of Fab ZK2B10 | | Authors: | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | | Deposit date: | 2019-02-07 | | Release date: | 2019-05-15 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (2.316 Å) | | Cite: | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
|
|
7U23
 | |
6JFH
 | | The asymmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex | | Descriptor: | FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural E protein, ... | | Authors: | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | | Deposit date: | 2019-02-08 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (20 Å) | | Cite: | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
|
|
8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
|
|
8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
|
|
7KX5
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A | | Descriptor: | 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide | | Authors: | Sacco, M, Wang, J, Chen, Y. | | Deposit date: | 2020-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
|
|
