5QTR
| PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-3764 | Descriptor: | 1,2-ETHANEDIOL, 6-fluoroquinazolin-4(3H)-one, MAGNESIUM ION, ... | Authors: | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2019-10-31 | Release date: | 2019-12-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5QTM
| PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-2639 | Descriptor: | 1,2-ETHANEDIOL, 7-fluoroquinazolin-4(3H)-one, ADP-sugar pyrophosphatase, ... | Authors: | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2019-08-14 | Release date: | 2019-12-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5QTS
| PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with 8J-537S | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3H)-one, ADP-sugar pyrophosphatase, ... | Authors: | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2019-08-14 | Release date: | 2019-12-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
7NNJ
| Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105) | Descriptor: | 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2, FORMIC ACID, ... | Authors: | Dubianok, Y, Arruda Bezerra, G, Raux, B, Diaz Saez, L, Riley, A.M, Potter, B.V.L, Huber, K.V.M, von Delft, F. | Deposit date: | 2021-02-24 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105) To Be Published
|
|
8JFQ
| Structure of the Major G-Quadruplex in the Human EGFR Oncogene Promoter Adopts a Unique Folding Topology with a Distinctive Snap-back Loop | Descriptor: | 26mer-DNA | Authors: | Liu, Y, Li, J, Zhang, Y, Wang, Y, Chen, J, Bian, Y, Xia, Y, Yang, M.H, Zheng, K, Wang, K.B, Kong, L.Y. | Deposit date: | 2023-05-18 | Release date: | 2023-08-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the Major G-Quadruplex in the Human EGFR Oncogene Promoter Adopts a Unique Folding Topology with a Distinctive Snap-Back Loop. J.Am.Chem.Soc., 145, 2023
|
|
7T7A
| Crystal Structure of Human SHOC2: A Leucine-Rich Repeat Protein | Descriptor: | Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, NITRATE ION | Authors: | Hajian, B, Lemke, C, Kwon, J, Bian, Y, Fuller, C, Aguirre, J. | Deposit date: | 2021-12-14 | Release date: | 2022-05-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex. Nature, 609, 2022
|
|
7UPI
| Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex | Descriptor: | CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ... | Authors: | Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A. | Deposit date: | 2022-04-15 | Release date: | 2022-05-04 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex. Nature, 609, 2022
|
|
3HGZ
| Crystal structure of human insulin-degrading enzyme in complex with amylin | Descriptor: | Insulin-degrading enzyme, Islet amyloid polypeptide, ZINC ION | Authors: | Guo, Q, Bian, Y, Tang, W.J. | Deposit date: | 2009-05-14 | Release date: | 2009-12-08 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Molecular Basis for the Recognition and Cleavages of IGF-II, TGF-alpha, and Amylin by Human Insulin-Degrading Enzyme. J.Mol.Biol., 395, 2010
|
|
5Z14
| Crystal structure of human TLR8 in complex with CU-CPT9a | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-methoxyquinolin-4-yl)-2-methyl-phenol, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2017-12-25 | Release date: | 2018-07-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State To Be Published
|
|
8EXX
| Herpes simplex virus 1 polymerase holoenzyme bound to DNA and foscarnet (pre-translocation state) | Descriptor: | DNA polymerase, DNA polymerase processivity factor, MAGNESIUM ION, ... | Authors: | Pan, J, Abraham, J, Coen, D.M, Shankar, S, Yang, P, Hogle, J. | Deposit date: | 2022-10-26 | Release date: | 2024-09-04 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance. Cell, 187, 2024
|
|
2WK3
| |
5WYX
| Crystal structure of human TLR8 in complex with CU-CPT8m | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2017-01-16 | Release date: | 2017-12-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Small-molecule inhibition of TLR8 through stabilization of its resting state Nat. Chem. Biol., 14, 2018
|
|
5WYZ
| Crystal structure of human TLR8 in complex with CU-CPT9b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2017-01-16 | Release date: | 2017-12-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-molecule inhibition of TLR8 through stabilization of its resting state Nat. Chem. Biol., 14, 2018
|
|
5Z15
| Crystal structure of human TLR8 in complex with CU-CPT9c | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-chloranylquinolin-4-yl)-2-methyl-phenol, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2017-12-25 | Release date: | 2018-07-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State To Be Published
|
|
7X08
| S protein of SARS-CoV-2 in complex with 2G1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | Authors: | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | Deposit date: | 2022-02-21 | Release date: | 2022-03-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD. Cell Discov, 8, 2022
|
|
3E4Z
| Crystal structure of human insulin degrading enzyme in complex with insulin-like growth factor II | Descriptor: | Insulin-degrading enzyme, Insulin-like growth factor II, ZINC ION | Authors: | Guo, Q, Manolopoulou, M, Tang, W.-J. | Deposit date: | 2008-08-12 | Release date: | 2009-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Molecular Basis for the Recognition and Cleavages of IGF-II, TGF-alpha, and Amylin by Human Insulin-Degrading Enzyme. J.Mol.Biol., 395, 2010
|
|
3E50
| Crystal structure of human insulin degrading enzyme in complex with transforming growth factor-alpha | Descriptor: | Insulin-degrading enzyme, Protransforming growth factor alpha, ZINC ION | Authors: | Guo, Q, Manolopoulou, M, Tang, W.-J. | Deposit date: | 2008-08-12 | Release date: | 2009-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular Basis for the Recognition and Cleavages of IGF-II, TGF-alpha, and Amylin by Human Insulin-Degrading Enzyme. J.Mol.Biol., 395, 2010
|
|
7EIL
| BRD4-BD1 in complex with LT-909-110 | Descriptor: | Bromodomain-containing protein 4, N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide | Authors: | Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as novel and potent bromodomain and extra-terminal (BET) inhibitors with anticancer efficacy Eur.J.Med.Chem., 227, 2022
|
|
8V1T
| Herpes simplex virus 1 polymerase holoenzyme bound to DNA and acyclovir triphosphate in closed conformation | Descriptor: | ACYCLOVIR TRIPHOSPHATE, DNA polymerase, DNA polymerase processivity factor, ... | Authors: | Pan, J, Abraham, J, Coen, D.M, Shankar, S, Yang, P, Hogle, J. | Deposit date: | 2023-11-21 | Release date: | 2024-09-04 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance. Cell, 187, 2024
|
|
8V1R
| Herpes simplex virus 1 polymerase holoenzyme bound to DNA and DTTP in closed conformation | Descriptor: | DNA polymerase, DNA polymerase processivity factor, MAGNESIUM ION, ... | Authors: | Pan, J, Abraham, J, Coen, D.M, Shankar, S, Yang, P, Hogle, J. | Deposit date: | 2023-11-21 | Release date: | 2024-09-04 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance. Cell, 187, 2024
|
|
8V1S
| Herpes simplex virus 1 polymerase holoenzyme bound to mismatched DNA in editing conformation | Descriptor: | DNA polymerase, DNA polymerase processivity factor, MAGNESIUM ION, ... | Authors: | Pan, J, Abraham, J, Coen, D.M, Shankar, S, Yang, P, Hogle, J. | Deposit date: | 2023-11-21 | Release date: | 2024-09-04 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance. Cell, 187, 2024
|
|
8V1Q
| Herpes simplex virus 1 polymerase holoenzyme bound to DNA in both open/closed conformations | Descriptor: | DNA polymerase, DNA polymerase processivity factor, MAGNESIUM ION, ... | Authors: | Pan, J, Abraham, J, Coen, D.M, Shankar, S, Yang, P, Hogle, J. | Deposit date: | 2023-11-21 | Release date: | 2024-09-04 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance. Cell, 187, 2024
|
|