3MJW
| PI3 Kinase gamma with a benzofuranone inhibitor | Descriptor: | (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Bard, J, Svenson, K. | Deposit date: | 2010-04-13 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | 5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer. Bioorg.Med.Chem.Lett., 20, 2010
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7W0X
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2R2Y
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4F1S
| Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor | Descriptor: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold. Bioorg.Med.Chem.Lett., 22, 2012
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4FLH
| Crystal structure of human PI3K-gamma in complex with AMG511 | Descriptor: | 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-14 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511. J.Med.Chem., 55, 2012
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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
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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
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6LJS
| Crystal structure of human FABP4 in complex with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ... | Authors: | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | Deposit date: | 2019-12-17 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation. J.Med.Chem., 63, 2020
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7YR0
| SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (interface) | Descriptor: | Heavy chain of S309, IGK@ protein, Spike protein S1, ... | Authors: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQU
| SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down) | 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: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQT
| SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up) | 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: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQV
| pH 5.5 SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up) | 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: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YR1
| SARS-CoV-2 BA.2.75 S Trimer in complex with XG2v024 | 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: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YR2
| SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state1) | 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: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQX
| SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, ... | Authors: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YR3
| SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state2) | 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: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQW
| SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down) | 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: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.51 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQY
| SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, ... | Authors: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQZ
| SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, S309 light chain, ... | Authors: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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6LJX
| Crystal structure of human FABP4 in complex with a novel inhibitor | Descriptor: | 2-phenylazanylbenzoic acid, Fatty acid-binding protein, adipocyte | Authors: | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | Deposit date: | 2019-12-17 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation. J.Med.Chem., 63, 2020
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6LJU
| Crystal structure of human FABP4 in complex with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid, Fatty acid-binding protein, ... | Authors: | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | Deposit date: | 2019-12-17 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation. J.Med.Chem., 63, 2020
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6LJV
| Crystal structure of human FABP4 in complex with a novel inhibitor | Descriptor: | 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid, Fatty acid-binding protein, adipocyte | Authors: | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | Deposit date: | 2019-12-17 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation. J.Med.Chem., 63, 2020
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6LJW
| Crystal structure of human FABP4 in complex with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-phenylazanylbenzoic acid, Fatty acid-binding protein, ... | Authors: | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | Deposit date: | 2019-12-17 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation. J.Med.Chem., 63, 2020
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6LJT
| Crystal structure of human FABP4 in complex with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid, Fatty acid-binding protein, ... | Authors: | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | Deposit date: | 2019-12-17 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation. J.Med.Chem., 63, 2020
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6KX9
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