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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
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
Descriptor: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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
Descriptor: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.66 Å)
Cite: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
Descriptor: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 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
Authors:Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
Deposit date:2015-06-03
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite: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
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Fraser, J.S.
Deposit date:2017-06-29
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite: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
Descriptor: CYTOCHROME C, HEME C, SULFATE ION
Authors:Murphy, M.E.P, Brayer, G.D.
Deposit date:1991-10-29
Release date:1993-10-31
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit chimera
Authors:Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I.
Deposit date:2017-07-10
Release date:2017-08-02
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CARBONATE ION, STRONTIUM ION, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, STRONTIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-06-12
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Choy, M.S, Peti, W, Page, R.
Deposit date:2015-01-17
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.285 Å)
Cite: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
Descriptor: (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, ...
Authors:Chang, S.H, Shen, L.L, Huang, Z.H, Wang, W.D, Han, G.Y, Shen, J.R, Zhang, X.
Deposit date:2019-06-22
Release date:2019-10-23
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type ATP synthase alpha chain, ...
Authors:Zhou, L, Sazanov, L.
Deposit date:2019-03-13
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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
Descriptor: (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, ...
Authors:Dickmanns, A, Rudolph, M.G, Ficner, R.
Deposit date:2004-12-01
Release date:2005-02-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.864 Å)
Cite: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
Descriptor: SODIUM ION, Uncharacterized protein
Authors: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)
Deposit date:2016-12-17
Release date:2017-07-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 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
Authors:Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
Deposit date:2015-06-03
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Chimera of Glutamate receptor 2, Germ cell-specific gene 1-like protein, Digitonin, ...
Authors:Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I.
Deposit date:2017-07-10
Release date:2017-08-02
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite: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
Descriptor: Galactose/lactose metabolism regulatory protein GAL80, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Regulatory protein GAL4
Authors:Kumar, P.R, Joshua-Tor, L.
Deposit date:2007-12-30
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:NADP regulates the yeast GAL induction system.
Science, 319, 2008

224931

數據於2024-09-11公開中

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