7WFR
| Human Nav1.8 with A-803467, class III | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Pan, X.J, Huang, X.S, Huang, G.X. | Deposit date: | 2021-12-27 | Release date: | 2022-08-03 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8. Proc.Natl.Acad.Sci.USA, 119, 2022
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7WE4
| Human Nav1.8 with A-803467, class I | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Pan, X.J, Huang, X.S, Huang, G.X. | Deposit date: | 2021-12-22 | Release date: | 2022-08-03 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8. Proc.Natl.Acad.Sci.USA, 119, 2022
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5GJR
| An atomic structure of the human 26S proteasome | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | Authors: | Huang, X.L, Luan, B, Wu, J.P, Shi, Y.G. | Deposit date: | 2016-07-01 | Release date: | 2016-09-07 | Last modified: | 2019-10-09 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | An atomic structure of the human 26S proteasome. Nat. Struct. Mol. Biol., 23, 2016
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5GJQ
| Structure of the human 26S proteasome bound to USP14-UbAl | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | Authors: | Huang, X.L, Luan, B, Wu, J.P, Shi, Y.G. | Deposit date: | 2016-07-01 | Release date: | 2016-08-17 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | An atomic structure of the human 26S proteasome. Nat. Struct. Mol. Biol., 23, 2016
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6PZ4
| co-crystal structure of BACE with inhibitor AM-6494 | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Huang, X. | Deposit date: | 2019-07-31 | Release date: | 2019-10-23 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of AM-6494: A Potent and Orally Efficacious beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor with in Vivo Selectivity over BACE2. J.Med.Chem., 63, 2020
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3U3E
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5IO1
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4HYI
| X-RAY Crystal structure of compound 40 bound to human chk1 kinase domain | Descriptor: | 2-(1H-indazol-1-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1 | Authors: | Fischmann, T.O. | Deposit date: | 2012-11-13 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4HYH
| X-RAY Crystal structure of compound 39 bound to human chk1 kinase domain | Descriptor: | 2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Fischmann, T.O. | Deposit date: | 2012-11-13 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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7CFD
| Drosophila melanogaster Krimper eTud2-AubR15me2 complex | Descriptor: | FI20010p1, Protein aubergine | Authors: | Hu, H, Li, S. | Deposit date: | 2020-06-25 | Release date: | 2021-06-02 | Last modified: | 2021-09-15 | Method: | X-RAY DIFFRACTION (2.704 Å) | Cite: | Binding of guide piRNA triggers methylation of the unstructured N-terminal region of Aub leading to assembly of the piRNA amplification complex. Nat Commun, 12, 2021
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7CFB
| Drosophila melanogaster Krimper eTud1 apo structure | Descriptor: | FI20010p1, SULFATE ION | Authors: | Hu, H, Li, S. | Deposit date: | 2020-06-25 | Release date: | 2021-06-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of guide piRNA triggers methylation of the unstructured N-terminal region of Aub leading to assembly of the piRNA amplification complex. Nat Commun, 12, 2021
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7CFC
| Drosophila melanogaster Krimper eTud1-Ago3 complex | Descriptor: | FI20010p1, Protein argonaute-3 | Authors: | Hu, H, Li, S. | Deposit date: | 2020-06-25 | Release date: | 2021-06-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Binding of guide piRNA triggers methylation of the unstructured N-terminal region of Aub leading to assembly of the piRNA amplification complex. Nat Commun, 12, 2021
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3GXU
| Crystal structure of Eph receptor and ephrin complex | Descriptor: | Ephrin type-A receptor 4, Ephrin-B2 | Authors: | Qin, H.N, Song, J.X. | Deposit date: | 2009-04-03 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural characterization of the EphA4-ephrin-B2 complex reveals new features enabling Eph-ephrin binding promiscuity J.Biol.Chem., 2009
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2KOU
| DICER LIKE protein | Descriptor: | Dicer-like protein 4 | Authors: | Qin, H, Song, J, Yuan, Y.A. | Deposit date: | 2009-09-30 | Release date: | 2010-02-16 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the Arabidopsis thaliana DCL4 DUF283 domain reveals a noncanonical double-stranded RNA-binding fold for protein-protein interaction Rna, 2010
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5XSR
| novel orally efficacious inhibitors complexed with PARP1 | Descriptor: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-06-15 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors Eur J Med Chem, 145, 2018
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5XSU
| novel orally efficacious inhibitors complexed with PARP1 | Descriptor: | 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-06-15 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors Eur J Med Chem, 145, 2018
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5XST
| novel orally efficacious inhibitors complexed with PARP1 | Descriptor: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-06-15 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors Eur J Med Chem, 145, 2018
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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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4DNU
| Crystal structure of the W285A mutant of UVB-resistance protein UVR8 | Descriptor: | AT5g63860/MGI19_6 | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y. | Deposit date: | 2012-02-09 | Release date: | 2012-03-07 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (1.764 Å) | Cite: | Structural basis of ultraviolet-B perception by UVR8. Nature, 484, 2012
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8D4Z
| Crystal structure of USP7 in complex with allosteric inhibitor FX1-3763 | Descriptor: | 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Bell, J.A. | Deposit date: | 2022-06-03 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Novel USP7 inhibitors demonstrate potent anti-cancer activity in models of AML, synergy with BCL2 inhibition, and a differentiated mechanism of action To Be Published
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5WH1
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4WRS
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8ZHF
| SARS-CoV-2 spike trimer (6P) in complex with R1-26 Fab, head-to-head aggregate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-26 Fab, ... | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | Deposit date: | 2024-05-10 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (5.26 Å) | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants To Be Published
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8ZHP
| Dimer of SARS-CoV-2 S1 in complex with H18 and R1-32 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, Heavy chain of R1-32 Fab, ... | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | Deposit date: | 2024-05-11 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants To Be Published
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8ZHO
| SARS-CoV-2 S1 in complex with H18 and R1-32 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, Heavy chain of R1-32 Fab, ... | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | Deposit date: | 2024-05-11 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants To Be Published
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