7A6I
| Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201 | 分子名称: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2020-08-25 | 公開日 | 2022-02-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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7A6K
| Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788 | 分子名称: | Epidermal growth factor receptor, SULFATE ION, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2020-08-25 | 公開日 | 2022-02-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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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 | 2024-03-13 | 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
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7ZYQ
| Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13 | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, SODIUM ION, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2022-05-25 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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6HVF
| Kinase domain of cSrc in complex with compound 29B | 分子名称: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide | 著者 | Keul, M, Mueller, M.P, Rauh, D. | 登録日 | 2018-10-10 | 公開日 | 2019-10-23 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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8PQK
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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 | 2024-03-13 | 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
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8PQ9
| c-KIT kinase domain in complex with avapritinib | 分子名称: | (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]ethanamine, 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 | 2024-03-13 | 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
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8PQG
| c-KIT T670I mutated kinase domain in complex with avapritinib | 分子名称: | (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]ethanamine, 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 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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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 | 2024-03-13 | 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
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8PQJ
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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 | 2024-03-13 | 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
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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 | 2024-03-13 | 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
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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 | 2024-03-13 | 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
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8PQH
| PDGFRA T674I mutant kinase domain in complex with avapritinib | 分子名称: | (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]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 | 2024-03-13 | 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
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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 | 2024-03-13 | 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
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7ZYM
| Crystal Structure of EGFR-T790M/C797S in Complex with Brigatinib | 分子名称: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | 著者 | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | 登録日 | 2022-05-25 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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7ZYN
| Crystal Structure of EGFR-T790M/C797S in Complex with WZ4002 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | 著者 | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | 登録日 | 2022-05-25 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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7ZYP
| Crystal Structure of EGFR-T790M/C797S in Complex with Reversible Aminopyrimidine 9 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | 著者 | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | 登録日 | 2022-05-25 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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5LPN
| Structure of human Rab10 in complex with the bMERB domain of Mical-1 | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein-methionine sulfoxide oxidase MICAL1, ... | 著者 | Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Mueller, M.P, Gazdag, E.M. | 登録日 | 2016-08-14 | 公開日 | 2016-08-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | bMERB domains are bivalent Rab8 family effectors evolved by gene duplication. Elife, 5, 2016
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7Q03
| Ketol-acid reductoisomerase from Methanothermococcus thermolithotrophicus in the close state with NADP and Mg2+ | 分子名称: | 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, GLYCEROL, ... | 著者 | Lemaire, O.N, Mueller, M, Wagner, T. | 登録日 | 2021-10-14 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Rearrangements of a Dodecameric Ketol-Acid Reductoisomerase Isolated from a Marine Thermophilic Methanogen. Biomolecules, 11, 2021
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6S8A
| Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19h | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-07-09 | 公開日 | 2019-10-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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6S89
| Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19g | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-07-09 | 公開日 | 2019-10-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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6T3T
| Structure of the 4-hydroxy-tetrahydrodipicolinate synthase from the thermoacidophilic methanotroph Methylacidiphilum fumariolicum SolV | 分子名称: | 4-hydroxy-tetrahydrodipicolinate synthase, SULFATE ION | 著者 | Schmitz, R, Dietl, A, Mueller, M, Berben, T, Op den Camp, H, Barends, T. | 登録日 | 2019-10-11 | 公開日 | 2020-05-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of the 4-hydroxy-tetrahydrodipicolinate synthase from the thermoacidophilic methanotroph Methylacidiphilum fumariolicum SolV and the phylogeny of the aminotransferase pathway. Acta Crystallogr.,Sect.F, 76, 2020
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6T5E
| Hydroxylamine Oxidoreductase from Brocadia fulgida | 分子名称: | HEME C, Hydroxylamine oxidoreductase-like protein, SULFATE ION | 著者 | Akram, M, Dietl, A, Mueller, M, Barends, T. | 登録日 | 2019-10-16 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Purification of the key enzyme complexes of the anammox pathway from DEMON sludge. Biopolymers, 112, 2021
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