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6DWK
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BU of 6dwk by Molmil
SAMHD1 Bound to Fludarabine-TP in the Catalytic Pocket
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine, ...
著者Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
登録日2018-06-26
公開日2018-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DW3
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BU of 6dw3 by Molmil
SAMHD1 Bound to Cytarabine-TP in the Catalytic Pocket
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
登録日2018-06-26
公開日2018-10-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DW5
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BU of 6dw5 by Molmil
SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
登録日2018-06-26
公開日2018-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DW7
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BU of 6dw7 by Molmil
SAMHD1 without Catalytic Nucleotides
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GLYCINE, ...
著者Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
登録日2018-06-26
公開日2018-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1AUK
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BU of 1auk by Molmil
HUMAN ARYLSULFATASE A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARYLSULFATASE A, MAGNESIUM ION
著者Lukatela, G, Krauss, N, Theis, K, Gieselmann, V, Von Figura, K, Saenger, W.
登録日1997-08-29
公開日1998-03-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human arylsulfatase A: the aldehyde function and the metal ion at the active site suggest a novel mechanism for sulfate ester hydrolysis.
Biochemistry, 37, 1998
8QXP
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BU of 8qxp by Molmil
Crystal structure of the outer membrane porin OmpW from Klebsiella pneumoniae
分子名称: OmpW protein, SULFATE ION
著者Seddon, C, Beis, K.
登録日2023-10-24
公開日2024-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of the outer membrane porin OmpW from the pervasive pathogen Klebsiella pneumoniae.
Acta Crystallogr.,Sect.F, 80, 2024
7O1H
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BU of 7o1h by Molmil
Hybrid-2R quadruplex-duplex with (-p-p-l) topology and 3 syn residues
分子名称: DNA (31-MER)
著者Mohr, S, Vianney, Y.M, Weisz, K.
登録日2021-03-29
公開日2021-05-19
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Expanding the Topological Landscape by a G-Column Flip of a Parallel G-Quadruplex.
Chemistry, 27, 2021
7ZEM
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BU of 7zem by Molmil
Structure of a parallel G-quadruplex with a snapback loop
分子名称: DNA (5'-D(*(DT5)P*GP*GP*CP*TP*AP*GP*GP*GP*TP*CP*AP*GP*GP*GP*TP*GP*GP*GP*TP*CP*AP*(DG3))-3')
著者Jana, J, Vianney, Y.M, Schroeder, N, Weisz, K.
登録日2022-03-31
公開日2022-06-15
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Guiding the folding of G-quadruplexes through loop residue interactions.
Nucleic Acids Res., 50, 2022
7ZEO
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Structure of a hybrid-type G-quadruplex with a snapback loop and an all-syn G-column (hybrid-1R)
分子名称: DNA (5'-D(*(DG5)P*(BGM)P*CP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*GP*GP*GP*TP*CP*AP*(DG3))-3')
著者Jana, J, Vianney, Y.M, Schroeder, N, Weisz, K.
登録日2022-03-31
公開日2022-06-15
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Guiding the folding of G-quadruplexes through loop residue interactions.
Nucleic Acids Res., 50, 2022
7ZEK
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BU of 7zek by Molmil
Structure of a hybrid-type G-quadruplex with a snapback loop (hybrid 1R')
分子名称: DNA (5'-D(*(DG5)P*GP*CP*TP*AP*(BG)P*GP*GP*TP*CP*AP*GP*GP*GP*TP*GP*GP*GP*TP*CP*AP*(DG3))-3')
著者Jana, J, Vianney, Y.M, Schroeder, N, Weisz, K.
登録日2022-03-31
公開日2022-06-22
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Guiding the folding of G-quadruplexes through loop residue interactions.
Nucleic Acids Res., 50, 2022
5MBR
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BU of 5mbr by Molmil
Quadruplex with flipped tetrad formed by a human telomeric sequence
分子名称: G-quadruplex formed by a human telomeric sequence modified with 2'-fluoro-2'-deoxyriboguanosine
著者Dickerhoff, J, Haase, L, Langel, W, Weisz, K.
登録日2016-11-08
公開日2017-04-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Tracing Effects of Fluorine Substitutions on G-Quadruplex Conformational Changes.
ACS Chem. Biol., 12, 2017
5MCR
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BU of 5mcr by Molmil
Quadruplex with flipped tetrad formed by an artificial sequence
分子名称: Artificial quadruplex with propeller, diagonal and lateral loop
著者Dickerhoff, J, Haase, L, Langel, W, Weisz, K.
登録日2016-11-10
公開日2017-04-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Tracing Effects of Fluorine Substitutions on G-Quadruplex Conformational Changes.
ACS Chem. Biol., 12, 2017
1GS9
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BU of 1gs9 by Molmil
Apolipoprotein E4, 22k domain
分子名称: APOLIPOPROTEIN E
著者Verderame, J.R, Kantardjieff, K, Segelke, B, Weisgraber, K, Rupp, B.
登録日2002-01-02
公開日2003-06-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the 22K Domain of Human Apolipoprotein E4
To be Published
3RRN
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BU of 3rrn by Molmil
S. cerevisiae dbp5 l327v bound to gle1 h337r and ip6
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DBP5, INOSITOL HEXAKISPHOSPHATE, ...
著者Montpetit, B, Thomsen, N.D, Helmke, K.J, Seeliger, M.A, Berger, J.M, Weis, K.
登録日2011-04-29
公開日2011-05-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.001 Å)
主引用文献A conserved mechanism of DEAD-box ATPase activation by nucleoporins and InsP6 in mRNA export.
Nature, 472, 2011
3PEU
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BU of 3peu by Molmil
S. cerevisiae Dbp5 L327V C-terminal domain bound to Gle1 H337R and IP6
分子名称: ATP-dependent RNA helicase DBP5, GLYCEROL, INOSITOL HEXAKISPHOSPHATE, ...
著者Montpetit, B, Thomsen, N.D, Helmke, K.J, Seeliger, M.A, Berger, J.M, Weis, K.
登録日2010-10-27
公開日2011-03-23
最終更新日2020-10-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A conserved mechanism of DEAD-box ATPase activation by nucleoporins and InsP(6) in mRNA export.
Nature, 472, 2011
3PEW
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BU of 3pew by Molmil
S. cerevisiae Dbp5 L327V bound to RNA and ADP BeF3
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DBP5, BERYLLIUM TRIFLUORIDE ION, ...
著者Montpetit, B, Thomsen, N.D, Helmke, K.J, Seeliger, M.A, Berger, J.M, Weis, K.
登録日2010-10-27
公開日2011-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献A conserved mechanism of DEAD-box ATPase activation by nucleoporins and InsP(6) in mRNA export.
Nature, 472, 2011
3PEV
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BU of 3pev by Molmil
S. cerevisiae Dbp5 L327V C-terminal domain bound to Gle1 and IP6
分子名称: ATP-dependent RNA helicase DBP5, GLYCEROL, INOSITOL HEXAKISPHOSPHATE, ...
著者Montpetit, B, Thomsen, N.D, Helmke, K.J, Seeliger, M.A, Berger, J.M, Weis, K.
登録日2010-10-27
公開日2011-03-23
最終更新日2020-10-14
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献A conserved mechanism of DEAD-box ATPase activation by nucleoporins and InsP(6) in mRNA export.
Nature, 472, 2011
3PEY
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BU of 3pey by Molmil
S. cerevisiae Dbp5 bound to RNA and ADP BeF3
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DBP5, BERYLLIUM TRIFLUORIDE ION, ...
著者Montpetit, B, Thomsen, N.D, Helmke, K.J, Seeliger, M.A, Berger, J.M, Weis, K.
登録日2010-10-27
公開日2011-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献A conserved mechanism of DEAD-box ATPase activation by nucleoporins and InsP(6) in mRNA export.
Nature, 472, 2011
3RRM
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BU of 3rrm by Molmil
S. cerevisiae dbp5 l327v bound to nup159, gle1 h337r, ip6 and adp
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DBP5, INOSITOL HEXAKISPHOSPHATE, ...
著者Montpetit, B, Thomsen, N.D, Helmke, K.J, Seeliger, M.A, Berger, J.M, Weis, K.
登録日2011-04-29
公開日2011-05-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A conserved mechanism of DEAD-box ATPase activation by nucleoporins and InsP6 in mRNA export.
Nature, 472, 2011
7PZF
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BU of 7pzf by Molmil
Crystal structure of the OmpK36 TD insertion chimera from Klebsiella pneumonia
分子名称: LITHIUM ION, OmpK36, TETRADECANE
著者Kwong, H, Beis, K.
登録日2021-10-12
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae.
Plos Pathog., 18, 2022
7Q3T
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BU of 7q3t by Molmil
Crystal structure of the OmpK36 D insertion chimera from Klebsiella pneumonia
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LITHIUM ION, OmpK36
著者Kwong, H, Beis, K.
登録日2021-10-28
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.788 Å)
主引用文献Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae.
Plos Pathog., 18, 2022
8PSE
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BU of 8pse by Molmil
(3+1) hybrid G-quadruplex from a G-rich sequence with five G-runs
分子名称: DNA (5'-D(*AP*GP*GP*GP*TP*AP*GP*GP*GP*CP*GP*GP*CP*GP*(BG)P*GP*TP*AP*CP*GP*GP*GP*T)-3')
著者Jana, J, Vianney, Y.M, Schroder, N, Weisz, K.
登録日2023-07-13
公開日2023-09-27
最終更新日2023-10-18
実験手法SOLUTION NMR
主引用文献Showcasing Different G-Quadruplex Folds of a G-Rich Sequence: Between Rule-Based Prediction and Butterfly Effect.
J.Am.Chem.Soc., 145, 2023
8PSI
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BU of 8psi by Molmil
G-quadruplex with a 1-nt V-shaped loop from a G-rich sequence with five G-runs
分子名称: DNA (5'-D(*GP*GP*GP*TP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*CP*AP*GP*GP*GP*T)-3')
著者Vianney, Y.M, Schroeder, N, Jana, J, Weisz, K.
登録日2023-07-13
公開日2023-09-27
最終更新日2023-10-18
実験手法SOLUTION NMR
主引用文献Showcasing Different G-Quadruplex Folds of a G-Rich Sequence: Between Rule-Based Prediction and Butterfly Effect.
J.Am.Chem.Soc., 145, 2023
8PSC
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BU of 8psc by Molmil
Three-layered basket-type G-quadruplex from a G-rich sequence with five G-runs
分子名称: DNA (5'-D(*AP*GP*(BG)P*GP*TP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*GP*CP*AP*GP*GP*GP*T)-3')
著者Vianney, Y.M, Schroeder, N, Jana, J, Weisz, K.
登録日2023-07-13
公開日2023-09-27
最終更新日2023-10-18
実験手法SOLUTION NMR
主引用文献Showcasing Different G-Quadruplex Folds of a G-Rich Sequence: Between Rule-Based Prediction and Butterfly Effect.
J.Am.Chem.Soc., 145, 2023
8R4E
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BU of 8r4e by Molmil
Hybrid-1R G-quadruplex with a +(lpp) loop progression
分子名称: DNA (27-MER)
著者Jana, J, Vianney, Y.M, Weisz, K.
登録日2023-11-13
公開日2023-12-27
最終更新日2024-01-31
実験手法SOLUTION NMR
主引用文献Impact of loop length and duplex extensions on the design of hybrid-type G-quadruplexes.
Chem.Commun.(Camb.), 60, 2024

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件を2024-09-11に公開中

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