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PDB: 161 件

7Q03
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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
6TFV
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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
6TG1
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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
6TG0
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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
6TFW
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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
6Z4D
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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
6TFZ
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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
6GN1
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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
6TFU
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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
6TFY
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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
4PHG
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BU of 4phg by Molmil
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
4PHF
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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
6HHF
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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
1Z63
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BU of 1z63 by Molmil
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
4A7F
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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
4A7L
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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
4A7H
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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
7Q07
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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
6G3R
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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
6HVE
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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
6HVF
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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
6G3S
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BU of 6g3s by Molmil
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
2V3W
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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
4A7N
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BU of 4a7n by Molmil
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
4D5G
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BU of 4d5g by Molmil
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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