4OZG
 
 | | D2 protein complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Petersen, J, Reid, H.H, Rossjohn, J. | | 登録日 | 2014-02-16 | | 公開日 | 2014-04-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
|
|
2FO3
 | | Plasmodium vivax ubiquitin conjugating enzyme E2 | | 分子名称: | Ubiquitin-conjugating enzyme | | 著者 | Dong, A, Zhao, Y, Lew, J, Kozieradski, I, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Bochkarev, A, Qiu, W, Structural Genomics Consortium (SGC) | | 登録日 | 2006-01-12 | | 公開日 | 2006-01-31 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
|
|
2FDS
 | | Crystal Structure of Plasmodium Berghei Orotidine 5'-monophosphate Decarboxylase (ortholog of Plasmodium falciparum PF10_0225) | | 分子名称: | IODIDE ION, orotidine-monophosphate-decarboxylase | | 著者 | Qiu, W, Dong, A, Wasney, G, Vedadi, M, Lew, J, Kozieradski, I, Alam, Z, Melone, M, Weigelt, J, Sundstrom, M, Edwards, A, Arrowsmith, C, Hui, R, Gao, M, Bochkarev, A, Artz, J.D, Structural Genomics Consortium (SGC) | | 登録日 | 2005-12-14 | | 公開日 | 2005-12-20 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
|
|
2FFC
 | | Crystal Structure of Plasmodium Vivax Orotidine-Monophosphate-Decarboxyl UMP Bound | | 分子名称: | URIDINE-5'-MONOPHOSPHATE, orotidine 5-monophosphate decarboxylase | | 著者 | Dong, A, Wasney, G, Vedadi, M, Lew, J, Koeieradzki, I, Zhao, Y, Edwards, A.M, Melone, M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | 登録日 | 2005-12-19 | | 公開日 | 2006-01-17 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
|
|
2FU0
 | | Plasmodium falciparum cyclophilin PFE0505w putative cyclosporin-binding domain | | 分子名称: | cyclophilin, putative | | 著者 | Dong, A, Lew, J, Sundararajan, E, Zhao, Y, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | | 登録日 | 2006-01-25 | | 公開日 | 2006-02-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
|
|
2F4Z
 | | Toxoplasma gondii ubiquitin conjugating enzyme TgTwinScan_2721- E2 domain | | 分子名称: | GLYCEROL, TgTwinScan_2721 - E2 domain, UNKNOWN ATOM OR ION | | 著者 | Dong, A, Lew, J, Zhao, Y, Melone, M, Alam, Z, Kozieradski, I, Wasney, G, Vedadi, M, Sundstrom, M, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | | 登録日 | 2005-11-24 | | 公開日 | 2005-12-27 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
|
|
2GHI
 | | Crystal Structure of Plasmodium yoelii Multidrug Resistance Protein 2 | | 分子名称: | SULFATE ION, transport protein | | 著者 | Dong, A, Gao, M, Choe, J, Zhao, Y, Lew, J, Wasney, G, Alam, Z, Melone, M, Kozieradzki, I, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | | 登録日 | 2006-03-27 | | 公開日 | 2006-04-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
|
|
2F6I
 | | Crystal structure of the ClpP protease catalytic domain from Plasmodium falciparum | | 分子名称: | ATP-dependent CLP protease, putative | | 著者 | Mulichak, A, Loppnau, P, Bray, J, Amani, M, Vedadi, M, Wasney, G, Finerty, P, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C, Hui, R, Plotnikova, O, Structural Genomics Consortium (SGC) | | 登録日 | 2005-11-29 | | 公開日 | 2005-12-20 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | The Clp chaperones and proteases of the human malaria parasite Plasmodium falciparum.
J.Mol.Biol., 404, 2010
|
|
2H2Y
 | | Crystal structure of ubiquitin conjugating enzyme E2 from plasmodium falciparum | | 分子名称: | Ubiquitin-conjugating enzyme | | 著者 | Qiu, W, Dong, A, Zhao, Y, Lew, J, Kozieradski, I, Sundararajan, E, Melone, M, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | | 登録日 | 2006-05-19 | | 公開日 | 2006-06-20 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
|
|
8PQC
 | | c-KIT kinase domain in complex with avapritinib derivative 9 | | 分子名称: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit | | 著者 | Teuber, A, Kleinboelting, S.B, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
|
|
8PQE
 | | c-KIT kinase domain in complex with avapritinib derivative 11 | | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | | 著者 | Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
|
|
8PQH
 | | PDGFRA T674I mutant kinase domain in complex with avapritinib | | 分子名称: | Avapritinib, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha | | 著者 | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
|
|
8PQI
 | | PDGFRA T674I mutant kinase domain in complex with avapritinib derivative 9 | | 分子名称: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha | | 著者 | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
|
|
8PQJ
 | |
8PQ9
 | | c-KIT kinase domain in complex with avapritinib | | 分子名称: | Avapritinib, Mast/stem cell growth factor receptor Kit, SULFATE ION | | 著者 | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
|
|
8PQG
 | |
8PQA
 | | c-KIT kinase domain in complex with avapritinib derivative 4 | | 分子名称: | 6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine, Mast/stem cell growth factor receptor Kit | | 著者 | Teuber, A, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
|
|
8PQB
 | | c-KIT kinase domain in complex with avapritinib derivative 8 | | 分子名称: | (1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit | | 著者 | Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
|
|
8PQD
 | | c-KIT kinase domain in complex with avapritinib derivative 10 | | 分子名称: | Mast/stem cell growth factor receptor Kit, ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide | | 著者 | Teuber, A, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
|
|
8PQF
 | | c-KIT kinase domain in complex with avapritinib derivative 12 | | 分子名称: | Mast/stem cell growth factor receptor Kit, methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate | | 著者 | Teuber, A, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
|
|
8PQK
 | |
6HWU
 | | Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2) | | 分子名称: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Mueller, M.P, Rauh, D. | | 登録日 | 2018-10-15 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
|
|
6HWT
 | | Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31) | | 分子名称: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Mueller, M.P, Rauh, D. | | 登録日 | 2018-10-15 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
|
|
8P43
 | |
4QU2
 | |
