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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6TFV
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18b | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TG1
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21b | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SODIUM ION, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TG0
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21a | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SULFATE ION, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TFW
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18d | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6Z4D
| Crystal Structure of EGFR-T790M/V948R in Complex with Mavelertinib and EAI001 | 分子名称: | (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2020-05-25 | 公開日 | 2020-11-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands. Acs Med.Chem.Lett., 11, 2020
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6TFZ
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 19 | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SULFATE ION, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6GN1
| Crystal Structure of Glycogen synthase kinase-3 beta (GSK3B) in Complex with PIK-75 | 分子名称: | CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide | 著者 | Tesch, R, Becker, C, Mueller, M.P, Sant'Anna, C.M.R, Fraga, C.A.M, Rauh, D. | 登録日 | 2018-05-29 | 公開日 | 2018-06-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | An Unusual Intramolecular Halogen Bond Guides Conformational Selection. Angew. Chem. Int. Ed. Engl., 57, 2018
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6TFU
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 14d | 分子名称: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TFY
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18c | 分子名称: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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4PHG
| Crystal structure of Ypt7 covalently modified with GTP | 分子名称: | GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate), ... | 著者 | Koch, D, Wiegandt, D, Vieweg, S, Hofmann, F, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | 登録日 | 2014-05-06 | 公開日 | 2014-05-28 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Locking GTPases covalently in their functional states. Nat Commun, 6, 2015
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4PHF
| Crystal structure of Ypt7 covalently modified with GDP | 分子名称: | GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate), ... | 著者 | Vieweg, S, Wiegandt, D, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | 登録日 | 2014-05-06 | 公開日 | 2014-05-28 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Locking GTPases covalently in their functional states. Nat Commun, 6, 2015
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6HHF
| Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib | 分子名称: | Borussertib, RAC-alpha serine/threonine-protein kinase | 著者 | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | 登録日 | 2018-08-28 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer. Cancer Res., 79, 2019
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1Z63
| Sulfolobus solfataricus SWI2/SNF2 ATPase core in complex with dsDNA | 分子名称: | 5'-D(*AP*AP*AP*AP*AP*A*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*AP*AP*AP*AP*AP*A)-3', 5'-D(*TP*TP*TP*TP*TP*TP*TP*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*TP*TP*TP*TP*TP*T)-3', Helicase of the snf2/rad54 family | 著者 | Duerr, H, Koerner, C, Mueller, M, Hickmann, V, Hopfner, K.P. | 登録日 | 2005-03-21 | 公開日 | 2005-05-17 | 最終更新日 | 2017-08-23 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | X-ray structures of the Sulfolobus solfataricus SWI2/SNF2 ATPase core and its complex with DNA. Cell(Cambridge,Mass.), 121, 2005
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4A7F
| Structure of the Actin-Tropomyosin-Myosin Complex (rigor ATM 3) | 分子名称: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Behrmann, E, Mueller, M, Penczek, P.A, Mannherz, H.G, Manstein, D.J, Raunser, S. | 登録日 | 2011-11-14 | 公開日 | 2012-08-01 | 最終更新日 | 2017-08-30 | 実験手法 | ELECTRON MICROSCOPY (7.7 Å) | 主引用文献 | Structure of the Rigor Actin-Tropomyosin-Myosin Complex. Cell(Cambridge,Mass.), 150, 2012
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4A7L
| Structure of the Actin-Tropomyosin-Myosin Complex (rigor ATM 1) | 分子名称: | ACTIN, ALPHA SKELETON MUSCLE, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Behrmann, E, Mueller, M, Penczek, P.A, Mannherz, H.G, Manstein, D.J, Raunser, S. | 登録日 | 2011-11-14 | 公開日 | 2012-08-01 | 最終更新日 | 2019-10-23 | 実験手法 | ELECTRON MICROSCOPY (8.1 Å) | 主引用文献 | Structure of the Rigor Actin-Tropomyosin-Myosin Complex. Cell(Cambridge,Mass.), 150, 2012
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4A7H
| Structure of the Actin-Tropomyosin-Myosin Complex (rigor ATM 2) | 分子名称: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Behrmann, E, Mueller, M, Penczek, P.A, Mannherz, H.G, Manstein, D.J, Raunser, S. | 登録日 | 2011-11-14 | 公開日 | 2012-08-01 | 最終更新日 | 2017-08-30 | 実験手法 | ELECTRON MICROSCOPY (7.8 Å) | 主引用文献 | Structure of the Rigor Actin-Tropomyosin-Myosin Complex. Cell(Cambridge,Mass.), 150, 2012
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7Q07
| Ketol-acid reductoisomerase from Methanothermococcus thermolithotrophicus in the open state with NADP and tartrate | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Ketol-Acid Reductoisomerase from Methanothermococcus thermolithotrophicus, ... | 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 (2.2 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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6G3R
| Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Structure one of two TEW-HSP70 structures deposited. | 分子名称: | 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ... | 著者 | Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A. | 登録日 | 2018-03-26 | 公開日 | 2018-10-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms. PLoS ONE, 13, 2018
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6HVE
| Kinase domain of cSrc in complex with compound 9 | 分子名称: | Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-(4-methoxy-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 (1.9 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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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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6G3S
| Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Second structure of two TEW-HSP70 structures deposited. | 分子名称: | 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ... | 著者 | Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A. | 登録日 | 2018-03-26 | 公開日 | 2018-10-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms. PLoS ONE, 13, 2018
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2V3W
| Crystal structure of the benzoylformate decarboxylase variant L461A from Pseudomonas putida | 分子名称: | BENZOYLFORMATE DECARBOXYLASE, MAGNESIUM ION, SULFATE ION, ... | 著者 | Gocke, D, Walter, L, Gauchenova, K, Kolter, G, Knoll, M, Berthold, C.L, Schneider, G, Pleiss, J, Mueller, M, Pohl, M. | 登録日 | 2007-06-25 | 公開日 | 2008-01-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Rational Protein Design of Thdp-Dependent Enzymes-Engineering Stereoselectivity. Chembiochem, 9, 2008
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4A7N
| Structure of bare F-actin filaments obtained from the same sample as the Actin-Tropomyosin-Myosin Complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, F-ACTIN | 著者 | Behrmann, E, Mueller, M, Penczek, P.A, Mannherz, H.G, Manstein, D.J, Raunser, S. | 登録日 | 2011-11-14 | 公開日 | 2012-08-01 | 最終更新日 | 2017-08-30 | 実験手法 | ELECTRON MICROSCOPY (8.9 Å) | 主引用文献 | Structure of the Rigor Actin-Tropomyosin-Myosin Complex. Cell(Cambridge,Mass.), 150, 2012
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4D5G
| Structure of recombinant CDH-H28AN484A | 分子名称: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, CYCLOHEXANE-1,2-DIONE HYDROLASE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Loschonsky, S, Wacker, T, Waltzer, S, Giovannini, P.P, McLeish, M.J, Andrade, S.L.A, Mueller, M. | 登録日 | 2014-11-04 | 公開日 | 2015-01-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Extended Reaction Scope of Thiamine Diphosphate Dependent Cyclohexane-1,2-Dione Hydrolase: From C-C Bond Cleavage to C-C Bond Ligation. Angew.Chem.Int.Ed.Engl., 53, 2014
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