8VLS
 
 | | Structure of VCP in complex with an ATPase activator (D2 domains only, dodecameric form) | | Descriptor: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | | Authors: | Jones, N.H, Urnivicius, L, Kapoor, T.M. | | Deposit date: | 2024-01-12 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VOV
 | | Structure of VCP in complex with an ATPase activator and ADP (D2 domains only, hexameric form) | | Descriptor: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Jones, N.H, Urnivicius, L, Kapoor, T.M. | | Deposit date: | 2024-01-16 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VKU
 | | Structure of VCP in complex with an ATPase activator (D2 domains only, hexameric form) | | Descriptor: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | | Authors: | Jones, N.H, Urnivicius, L, Kapoor, T.M. | | Deposit date: | 2024-01-09 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6B3E
 | | Crystal structure of human CDK12/CyclinK in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol, Cyclin-K, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2017-09-21 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structure-Based Design of Selective Noncovalent CDK12 Inhibitors.
ChemMedChem, 13, 2018
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6P11
 | | Structure of spastin AAA domain (T692A mutant) in complex with JNJ-7706621 inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Drosophila melanogaster Spastin AAA domain, ... | | Authors: | Pisa, R, Cupido, T, Kapoor, T.M. | | Deposit date: | 2019-05-17 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins.
Cell Chem Biol, 26, 2019
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6P10
 | | Structure of spastin AAA domain (N527C mutant) in complex with JNJ-7706621 inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Drosophila melanogaster Spastin AAA domain, ... | | Authors: | Pisa, R, Cupido, T, Kapoor, T.M. | | Deposit date: | 2019-05-17 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins.
Cell Chem Biol, 26, 2019
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6P12
 | | Structure of spastin AAA domain (wild-type) in complex with diaminotriazole-based inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide, Drosophila melanogaster Spastin AAA domain, ... | | Authors: | Pisa, R, Cupido, T, Kapoor, T.M. | | Deposit date: | 2019-05-17 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.94131851 Å) | | Cite: | Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins.
Cell Chem Biol, 26, 2019
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6P14
 | | Structure of spastin AAA domain (T692A mutant) in complex with a diaminotriazole-based inhibitor (crystal form B) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide, ACETATE ION, ... | | Authors: | Pisa, R, Cupido, T, Kapoor, T.M. | | Deposit date: | 2019-05-17 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.93001127 Å) | | Cite: | Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins.
Cell Chem Biol, 26, 2019
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6P13
 | | Structure of spastin AAA domain (T692A mutant) in complex with a diaminotriazole-based inhibitor (crystal form A) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide, SULFATE ION, ... | | Authors: | Pisa, R, Cupido, T, Kapoor, T.M. | | Deposit date: | 2019-05-17 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins.
Cell Chem Biol, 26, 2019
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7L9X
 | | Structure of VPS4B in complex with an allele-specific covalent inhibitor | | Descriptor: | N-{3-[(8-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl}propanamide, SULFATE ION, Vacuolar protein sorting-associated protein 4B | | Authors: | Grasso, M, Cupido, T, Kapoor, T.M. | | Deposit date: | 2021-01-05 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | A chemical genetics approach to examine the functions of AAA proteins.
Nat.Struct.Mol.Biol., 28, 2021
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