3ZTX
 
 | | Aurora kinase selective inhibitors identified using a Taxol-induced checkpoint sensitivity screen. | | Descriptor: | 2-((4-(4-HYDROXYPIPERIDIN-1-YL)PHENYL)AMINO)-5,11-DIMETHYL-5H-BENZO[E]PYRIMIDO [5,4-B][1,4]DIAZEPIN-6(11H)-ONE, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A | | Authors: | Kwiatkowski, N, Villa, F, Musacchio, A, Gray, N. | | Deposit date: | 2011-07-12 | | Release date: | 2012-02-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Selective Aurora Kinase Inhibitors Identified Using a Taxol- Induced Checkpoint Sensitivity Screen.
Acs Chem.Biol., 7, 2012
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7POM
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7PP9
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8GUG
 | | Structure of VPA0770 toxin bound to VPA0769 antitoxin in Vibrio parahaemolyticus | | Descriptor: | DUF2384 domain-containing protein, RES domain-containing protein | | Authors: | Song, X.J, Zhang, Y, Xu, Y.Y, Lin, Z. | | Deposit date: | 2022-09-12 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural insights of the toxin-antitoxin system VPA0770-VPA0769 in Vibrio parahaemolyticus.
Int.J.Biol.Macromol., 242, 2023
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7PUU
 | | Crystal structure of carbonic anhydrase XII with methyl 4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoate | | Descriptor: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-09-30 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
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7Q0D
 | | Human carbonic anhydrase I in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Carbonic anhydrase 1, ... | | Authors: | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-10-14 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
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7Q0E
 | | Human Carbonic Anhydrase II in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | | Descriptor: | BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-10-14 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
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7PUW
 | | Crystal structure of carbonic anhydrase XII with methyl 2-chloro-4-[(2-phenylethyl)sulfanyl]-5-sulfamoylbenzoate | | Descriptor: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-09-30 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
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7PUV
 | | Crystal structure of carbonic anhydrase XII with methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | | Descriptor: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-09-30 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
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7Q0C
 | | Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate | | Descriptor: | ACETATE ION, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-10-14 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
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7MB9
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7MB4
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7MB8
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7MB5
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7MB6
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7MB7
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8SKH
 | | Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors | | Descriptor: | 2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase nsp5 | | Authors: | Knapp, M.S, Ornelas, E. | | Deposit date: | 2023-04-19 | | Release date: | 2023-06-07 | | Last modified: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.882 Å) | | Cite: | Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors.
Chembiochem, 24, 2023
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8SK4
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8CZO
 | | Cryo-EM structure of BCL10 CARD - MALT1 DD filament | | Descriptor: | B-cell lymphoma/leukemia 10, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | | Authors: | David, L, Wu, H. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | BCL10 Mutations Define Distinct Dependencies Guiding Precision Therapy for DLBCL.
Cancer Discov, 12, 2022
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8CZD
 | | Cryo-EM structure of BCL10 R58Q filament | | Descriptor: | B-cell lymphoma/leukemia 10 | | Authors: | David, L, Wu, H. | | Deposit date: | 2022-05-24 | | Release date: | 2022-06-22 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | BCL10 Mutations Define Distinct Dependencies Guiding Precision Therapy for DLBCL.
Cancer Discov, 12, 2022
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7AUV
 | | The structure of ERK2 in complex with dual inhibitor ASTX029 | | Descriptor: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | Authors: | O'Reilly, M. | | Deposit date: | 2020-11-03 | | Release date: | 2021-10-06 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | ASTX029, a Novel Dual-mechanism ERK Inhibitor, Modulates Both the Phosphorylation and Catalytic Activity of ERK.
Mol.Cancer Ther., 20, 2021
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5VAL
 | | BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide | | Descriptor: | N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2017-03-27 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
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3M4Q
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5VAM
 | | BRAF in Complex with RAF709 | | Descriptor: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2017-03-27 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
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5JDC
 | | Trypanosoma brucei PTR1 in complex with inhibitor NP-13 (Hesperetin) | | Descriptor: | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ... | | Authors: | Mangani, S, Pozzi, C, Di Pisa, F, Landi, G, Dello Iacono, L. | | Deposit date: | 2016-04-16 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
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