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8PQC
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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
8PQH
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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
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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
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BU of 8pqj by Molmil
PDGFRA wild-type kinase domain
分子名称: Platelet-derived growth factor receptor alpha
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 (1.82 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQ9
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BU of 8pq9 by Molmil
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
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BU of 8pqg by Molmil
c-KIT T670I mutated kinase domain in complex with avapritinib
分子名称: Avapritinib, 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 (2.4 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQA
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BU of 8pqa by Molmil
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
8PQF
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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
8PQB
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BU of 8pqb by Molmil
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
8PQK
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BU of 8pqk by Molmil
APO crystal structure of PDGFRA-T674I kinase domain
分子名称: Platelet-derived growth factor receptor alpha
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 (2 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQD
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BU of 8pqd by Molmil
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
1YMM
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BU of 1ymm by Molmil
TCR/HLA-DR2b/MBP-peptide complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
著者Hahn, M, Nicholson, M.J, Pyrdol, J, Wucherpfennig, K.W.
登録日2005-01-21
公開日2005-05-03
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Unconventional topology of self peptide-major histocompatibility complex binding by a human autoimmune T cell receptor.
NAT.IMMUNOL., 6, 2005
1YHI
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BU of 1yhi by Molmil
Uncyclized precursor structure of S65A Y66S R96A GFP variant
分子名称: Green Fluorescent Protein
著者Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D.
登録日2005-01-08
公開日2005-02-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Understanding GFP Chromophore Biosynthesis: Controlling Backbone Cyclization and Modifying Post-translational Chemistry(,).
Biochemistry, 44, 2005
1YJD
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BU of 1yjd by Molmil
Crystal structure of human CD28 in complex with the Fab fragment of a mitogenic antibody (5.11A1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab fragment of 5.11A1 antibody heavy chain, Fab fragment of 5.11A1 antibody light chain, ...
著者Evans, E.J, Esnouf, R.M, Manso-Sancho, R, Gilbert, R.J.C, James, J.R, Sorensen, P, Stuart, D.I, Davis, S.J.
登録日2005-01-14
公開日2005-02-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of a soluble CD28-Fab complex
Nat.Immunol., 6, 2005
8APZ
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BU of 8apz by Molmil
Crystal structure of wild-type L-N-Carbamoylase from Sinorhizobium meliloti
分子名称: ACETATE ION, D-ORNITHINE, FE (III) ION, ...
著者Rozeboom, H.J, Mayer, C.
登録日2022-08-11
公開日2022-11-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Selecting Better Biocatalysts by Complementing Recoded Bacteria.
Angew.Chem.Int.Ed.Engl., 62, 2023
8AQ0
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BU of 8aq0 by Molmil
Crystal structure of L-N-Carbamoylase from Sinorhizobium meliloti mutant L217G/F329C
分子名称: (2~{S})-2-(aminocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid, CHLORIDE ION, FE (III) ION, ...
著者Rozeboom, H.J, Mayer, C.
登録日2022-08-11
公開日2022-11-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Selecting Better Biocatalysts by Complementing Recoded Bacteria.
Angew.Chem.Int.Ed.Engl., 62, 2023
8AAB
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BU of 8aab by Molmil
S148F mutant of blue-to-red fluorescent timer mRubyFT
分子名称: mRubyFT S148F mutant of blue-to-red fluorescent timer
著者Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Dorovatovskii, P.V, Subach, O.M, Popov, V.O, Subach, F.V.
登録日2022-06-30
公開日2022-08-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献mRubyFT/S147I, a mutant of blue-to-red fluorescent timer
Crystallography Reports, 2022
1Z7C
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BU of 1z7c by Molmil
Crystal Structure of Human Placental Lactogen
分子名称: Chorionic somatomammotropin hormone
著者Walsh, S.T.R, Kossiakoff, A.A.
登録日2005-03-24
公開日2006-03-07
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure and Site 1 Binding Energetics of Human Placental Lactogen.
J.Mol.Biol., 358, 2006
1ZAI
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BU of 1zai by Molmil
Fructose-1,6-bisphosphate Schiff base intermediate in FBP aldolase from rabbit muscle
分子名称: 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Fructose-bisphosphate aldolase A
著者St-Jean, M, Lafrance-Vanasse, J, Liotard, B, Sygusch, J.
登録日2005-04-06
公開日2005-05-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献High Resolution Reaction Intermediates of Rabbit Muscle Fructose-1,6-bisphosphate Aldolase: substrate cleavage and induced fit.
J.Biol.Chem., 280, 2005
1ZF5
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BU of 1zf5 by Molmil
GCT duplex B-DNA
分子名称: 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3'
著者Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
登録日2005-04-19
公開日2005-05-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
8AUC
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BU of 8auc by Molmil
Structure of peptidoglycan hydrolase Cg1735 from Corynebacterium glutamicum, trigonal crystal form
分子名称: Cell wall-associated hydrolases (Invasion-associated proteins), TETRACHLOROPLATINATE(II)
著者Gaday, Q, Wehenkel, A.M, Alzari, P.M, Legrand, P.
登録日2022-08-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales.
Proc.Natl.Acad.Sci.USA, 119, 2022
6VCD
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BU of 6vcd by Molmil
Cryo-EM structure of IRP2-FBXL5-SKP1 complex
分子名称: F-box/LRR-repeat protein 5, FE2/S2 (INORGANIC) CLUSTER, Iron-responsive element binding protein 2, ...
著者Wang, H, Shi, H, Zheng, N.
登録日2019-12-20
公開日2020-08-05
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献FBXL5 Regulates IRP2 Stability in Iron Homeostasis via an Oxygen-Responsive [2Fe2S] Cluster.
Mol.Cell, 78, 2020
8AIF
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BU of 8aif by Molmil
TapA acts as specific chaperone in TasA non-amyloid filament formation
分子名称: 1,2-ETHANEDIOL, NITRATE ION, YqxM protein required for localization of TasA to extracellular matrix
著者Roske, Y, Heinemann, U.
登録日2022-07-26
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献TapA acts as specific chaperone in TasA filament formation by strand complementation.
Proc.Natl.Acad.Sci.USA, 120, 2023
1ZAJ
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BU of 1zaj by Molmil
Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with mannitol-1,6-bisphosphate, a competitive inhibitor
分子名称: D-MANNITOL-1,6-DIPHOSPHATE, Fructose-bisphosphate aldolase A
著者St-Jean, M, Lafrance-Vanasse, J, Liotard, B, Sygusch, J.
登録日2005-04-06
公開日2005-05-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献High Resolution Reaction Intermediates of Rabbit Muscle Fructose-1,6-bisphosphate Aldolase: substrate cleavage and induced fit.
J.Biol.Chem., 280, 2005
1ZDL
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BU of 1zdl by Molmil
Crystal Structure of Mouse Thioredoxin Reductase Type 2
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 2, ...
著者Biterova, E.I, Turanov, A.A, Gladyshev, V.N, Barycki, J.J.
登録日2005-04-14
公開日2005-11-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of oxidized and reduced mitochondrial thioredoxin reductase provide molecular details of the reaction mechanism.
Proc.Natl.Acad.Sci.Usa, 102, 2005

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件を2024-08-21に公開中

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