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5SA2
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BU of 5sa2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1148747945
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5SA0
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BU of 5sa0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1506050651
分子名称: (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9X
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BU of 5s9x by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1899842917
分子名称: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9U
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BU of 5s9u by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z32327641
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5SA3
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BU of 5sa3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434874
分子名称: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9W
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BU of 5s9w by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z26769872
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5SA1
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BU of 5sa1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434944
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9T
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BU of 5s9t by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1614545742
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9Z
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BU of 5s9z by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434884
分子名称: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9Y
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BU of 5s9y by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z24758179
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5BUI
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BU of 5bui by Molmil
ERK2 complexed with 2-pyridiyl tetrahydroazaindazole
分子名称: 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase 1, NICKEL (II) ION
著者Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
5WC7
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BU of 5wc7 by Molmil
CypA Mutant - I97V S99T C115S
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Fraser, J.S.
登録日2017-06-29
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Rescue of conformational dynamics in enzyme catalysis by directed evolution.
Nat Commun, 9, 2018
1YEA
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BU of 1yea by Molmil
STRUCTURE DETERMINATION AND ANALYSIS OF YEAST ISO-2-CYTOCHROME C AND A COMPOSITE MUTANT PROTEIN
分子名称: CYTOCHROME C, HEME C, SULFATE ION
著者Murphy, M.E.P, Brayer, G.D.
登録日1991-10-29
公開日1993-10-31
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure determination and analysis of yeast iso-2-cytochrome c and a composite mutant protein.
J.Mol.Biol., 227, 1992
5WEO
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BU of 5weo by Molmil
Activated GluA2 complex bound to glutamate, cyclothiazide, and STZ in digitonin
分子名称: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit chimera
著者Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I.
登録日2017-07-10
公開日2017-08-02
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Channel opening and gating mechanism in AMPA-subtype glutamate receptors.
Nature, 549, 2017
4IAK
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BU of 4iak by Molmil
Low temperature X-ray structure of cAMP dependent protein kinase A in complex with high Sr2+ concentration, ADP and phosphorylated peptide pSP20
分子名称: ADENOSINE-5'-DIPHOSPHATE, CARBONATE ION, STRONTIUM ION, ...
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-06
公開日2013-06-12
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IAY
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BU of 4iay by Molmil
Room temperature X-ray Structure of cAMP dependent protein kinase A in complex with high Sr2+ concentration, ADP and phosphorylated peptide pSP20
分子名称: ADENOSINE-5'-DIPHOSPHATE, STRONTIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-07
公開日2013-06-12
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4XPN
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BU of 4xpn by Molmil
Crystal Structure of Protein Phosphate 1 complexed with PP1 binding domain of GADD34
分子名称: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2015-01-17
公開日2015-07-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献Structural and Functional Analysis of the GADD34:PP1 eIF2 alpha Phosphatase.
Cell Rep, 11, 2015
6KAF
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BU of 6kaf by Molmil
C2S2M2N2-type PSII-LHCII
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Chang, S.H, Shen, L.L, Huang, Z.H, Wang, W.D, Han, G.Y, Shen, J.R, Zhang, X.
登録日2019-06-22
公開日2019-10-23
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Structure of a C2S2M2N2-type PSII-LHCII supercomplex from the green algaChlamydomonas reinhardtii.
Proc.Natl.Acad.Sci.USA, 116, 2019
6R0W
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BU of 6r0w by Molmil
Thermus thermophilus V/A-type ATPase/synthase, rotational state 2
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type ATP synthase alpha chain, ...
著者Zhou, L, Sazanov, L.
登録日2019-03-13
公開日2019-08-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure and conformational plasticity of the intact Thermus thermophilus V/A-type ATPase.
Science, 365, 2019
1Y4J
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BU of 1y4j by Molmil
Crystal structure of the paralogue of the human formylglycine generating enzyme
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dickmanns, A, Rudolph, M.G, Ficner, R.
登録日2004-12-01
公開日2005-02-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.864 Å)
主引用文献Crystal Structure of Human pFGE, the Paralog of the C{alpha}-formylglycine-generating Enzyme
J.Biol.Chem., 280, 2005
5WUC
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BU of 5wuc by Molmil
Structural basis for conductance through TRIC cation channels
分子名称: SODIUM ION, Uncharacterized protein
著者Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2016-12-17
公開日2017-07-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
5BUE
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BU of 5bue by Molmil
ERK2 complexed with N-benzylpyridone tetrahydroazaindazole
分子名称: 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION
著者Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
4IAF
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BU of 4iaf by Molmil
Room temperature X-ray Structure OF cAMP dependent protein kinase A in complex with high Mg2+ concentration, ADP and phosphorylated peptide pSP20
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-06
公開日2013-06-12
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
5WEL
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BU of 5wel by Molmil
GluA2 bound to antagonist ZK and GSG1L in digitonin, state 2
分子名称: Chimera of Glutamate receptor 2, Germ cell-specific gene 1-like protein, Digitonin, ...
著者Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I.
登録日2017-07-10
公開日2017-08-02
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Channel opening and gating mechanism in AMPA-subtype glutamate receptors.
Nature, 549, 2017
3BTS
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BU of 3bts by Molmil
Crystal structure of a ternary complex of the transcriptional repressor Gal80p (Gal80S0 [G301R]) and the acidic activation domain of Gal4p (aa 854-874) from Saccharomyces cerevisiae with NAD
分子名称: Galactose/lactose metabolism regulatory protein GAL80, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Regulatory protein GAL4
著者Kumar, P.R, Joshua-Tor, L.
登録日2007-12-30
公開日2008-03-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献NADP regulates the yeast GAL induction system.
Science, 319, 2008

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