2GHR
 
 | |
2HUJ
 | |
2GVK
 | |
2HBW
 | |
5KPM
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD3731 | | Descriptor: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-07-04 | | Release date: | 2018-03-14 | | Last modified: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
|
|
5KPL
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD0705 | | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-07-04 | | Release date: | 2018-03-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
|
|
5KPK
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD0209 | | Descriptor: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-07-04 | | Release date: | 2018-03-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
|
|
6MAU
 | | Crystal structure of human BRD4(1) in complex with CN210 (compound 19) | | Descriptor: | 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Nadupalli, A, Fontano, E, Connors, C.R, Chan, S.G, Olland, A.M, Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2018-08-28 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases.
Bioorg. Med. Chem. Lett., 29, 2019
|
|
2QTP
 | |
8TBE
 | | Co-crystal structure of SARS-CoV-2 Mpro with Pomotrelvir | | Descriptor: | 3C-like proteinase nsp5, Pomotrelvir bound form | | Authors: | Olland, A, Fontano, E, White, A. | | Deposit date: | 2023-06-28 | | Release date: | 2023-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Evaluation of in vitro antiviral activity of SARS-CoV-2 M pro inhibitor pomotrelvir and cross-resistance to nirmatrelvir resistance substitutions.
Antimicrob.Agents Chemother., 67, 2023
|
|
6PLG
 | | Crystal structure of human PHGDH complexed with Compound 15 | | Descriptor: | (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE | | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2019-06-30 | | Release date: | 2019-07-24 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
6PLF
 | | Crystal structure of human PHGDH complexed with Compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase | | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2019-06-30 | | Release date: | 2019-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
2ETS
 | |
2EVR
 | |
2FG0
 | |
1VKH
 | |
1VJO
 | |
2F46
 | |
2FEA
 | |
1VL4
 | |
1VR3
 | |
1VRM
 | |
1VQ0
 | |
1VQR
 | |
1VR8
 | |
