8I93
 
 | | ACE2-B0AT1 complex bound with methionine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Li, Y.N, Zhang, Y.Y, Shen, Y.P, Yan, R.H. | | Deposit date: | 2023-02-06 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B 0 AT1 and ACE2-SIT1.
Cell Discov, 9, 2023
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8I92
 | | ACE2-B0AT1 complex bound with glutamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Li, Y.N, Zhang, Y.Y, Shen, Y.P, Yan, R.H. | | Deposit date: | 2023-02-06 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B 0 AT1 and ACE2-SIT1.
Cell Discov, 9, 2023
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7P58
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.886 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P5E
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 1-[6-[3-(dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Davies, T.G, Cleasby, A. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.874 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P5P
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{R})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P5I
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | | Authors: | Davies, T.G, Cleasby, A. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P5F
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P5N
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P5K
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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5D2S
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5D23
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8IYX
 | | Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365 | | Descriptor: | 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365 | | Authors: | Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M. | | Deposit date: | 2023-04-06 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6C6R
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7CYD
 | | Cryo-EM structures of Alphacoronavirus spike glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Song, X, Shi, Y, Ding, W, Liu, Z.J, Peng, G. | | Deposit date: | 2020-09-03 | | Release date: | 2020-12-23 | | Last modified: | 2021-06-02 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Cryo-EM analysis of the HCoV-229E spike glycoprotein reveals dynamic prefusion conformational changes.
Nat Commun, 12, 2021
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6C6N
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8JTN
 | | Tudor domain of TDRD3 in complex with a small molecule | | Descriptor: | 2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine, Tudor domain-containing protein 3 | | Authors: | Chen, M, Wang, Z, Li, W, Shang, X, Liu, Y. | | Deposit date: | 2023-06-22 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Tudor domain of TDRD3 in complex with a small molecule antagonist.
Biochim Biophys Acta Gene Regul Mech, 1866, 2023
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8E1M
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1VBS
 | | STRUCTURE OF CYCLOPHILIN COMPLEXED WITH (D)ALA CONTAINING TETRAPEPTIDE | | Descriptor: | CYCLOPHILIN A, TETRAPEPTIDE | | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | | Deposit date: | 1998-06-16 | | Release date: | 1999-01-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mapping the stereospecificity of peptidyl prolyl cis/trans isomerases.
FEBS Lett., 432, 1998
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7CYC
 | | Cryo-EM structures of Alphacoronavirus spike glycoprotein | | 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: | Song, X, Shi, Y, Ding, W, Liu, Z.J, Peng, G. | | Deposit date: | 2020-09-03 | | Release date: | 2020-12-23 | | Last modified: | 2021-06-02 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Cryo-EM analysis of the HCoV-229E spike glycoprotein reveals dynamic prefusion conformational changes.
Nat Commun, 12, 2021
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7VNQ
 | | Structure of human KCNQ4-ML213 complex in nanodisc | | Descriptor: | (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid, Calmodulin-3, POTASSIUM ION, ... | | Authors: | Xu, F, Zheng, Y. | | Deposit date: | 2021-10-11 | | Release date: | 2021-12-01 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Structural insights into the lipid and ligand regulation of a human neuronal KCNQ channel.
Neuron, 110, 2022
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7VNR
 | | Structure of human KCNQ4-ML213 complex in digitonin | | Descriptor: | (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid, Calmodulin-3, POTASSIUM ION, ... | | Authors: | Xu, F, Zheng, Y. | | Deposit date: | 2021-10-11 | | Release date: | 2021-12-01 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural insights into the lipid and ligand regulation of a human neuronal KCNQ channel.
Neuron, 110, 2022
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7E9B
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7VNP
 | | Structure of human KCNQ4-ML213 complex with PIP2 | | Descriptor: | (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid, Calmodulin-3, POTASSIUM ION, ... | | Authors: | Xu, F, Zheng, Y. | | Deposit date: | 2021-10-11 | | Release date: | 2021-12-01 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Structural insights into the lipid and ligand regulation of a human neuronal KCNQ channel.
Neuron, 110, 2022
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5D2Q
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7VJL
 | | The crystal structure of FGFR4 kinase domain in complex with N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide | | Descriptor: | Fibroblast growth factor receptor 4, N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide | | Authors: | Zhang, Z.M, Wang, Y.J. | | Deposit date: | 2021-09-28 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.900173 Å) | | Cite: | Characterization of an aromatic trifluoromethyl ketone as a new warhead for covalently reversible kinase inhibitor design.
Bioorg.Med.Chem., 50, 2021
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