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3Q4W
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BU of 3q4w by Molmil
The structure of archaeal inorganic pyrophosphatase in complex with substrate
分子名称: BROMIDE ION, CALCIUM ION, PYROPHOSPHATE 2-, ...
著者Hughes, R.C, Meehan, E.J, Coates, L, Ng, J.D.
登録日2010-12-24
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.441 Å)
主引用文献Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
3QQU
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BU of 3qqu by Molmil
Cocrystal structure of unphosphorylated igf with pyrimidine 8
分子名称: Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
著者Huang, X.
登録日2011-02-16
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
6EPK
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BU of 6epk by Molmil
CRYSTAL STRUCTURE OF THE PRECURSOR MEMBRANE PROTEIN-ENVELOPE PROTEIN HETERODIMER FROM THE YELLOW FEVER VIRUS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, GLYCEROL, ...
著者Rey, F.A, Duquerroy, S, Crampon, E, Barba-Spaeth, G.
登録日2017-10-11
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex
Mbio, 2023
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
4RGC
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BU of 4rgc by Molmil
277K Crystal structure of Escherichia Coli dihydrofolate reductase
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Wilson, M.A, Wan, Q, Bennett, B.C, Dealwis, C.
登録日2014-09-29
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
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
4IAC
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BU of 4iac by Molmil
X-RAY structure of cAMP dependent protein kinase A in complex with HIGH MG2+ concentration, AMP-PCP AND pseudo-substrate peptide SP20
分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Peptide SP20, ...
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-06
公開日2013-06-12
最終更新日2016-09-21
実験手法X-RAY DIFFRACTION (2.15 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
4IAI
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BU of 4iai by Molmil
X-ray Structure of cAMP dependent protein kinase A in complex with high Ca2+ concentration, ADP and phosphorylated peptide pSP20
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CARBONATE 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 (1.55 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
4IB3
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BU of 4ib3 by Molmil
Structure of cAMP dependent protein kinase A in complex with ADP, phosphorylated peptide pSP20, and no metal
分子名称: ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, phosphorylated pseudo-substrate peptide pSP20
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-07
公開日2013-12-11
最終更新日2014-05-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
5NPI
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BU of 5npi by Molmil
Structure of the Hepatitis C virus strain J4 glycoprotein E2 antigenic region 532-540 bound to the single chain variable fragment of the non-neutralizing antibody DAO5
分子名称: Epitope peptide, Single chain variable fragment of the non-neutralizing antibody DAO5
著者Vasiliauskaite, I, Rey, F.A, Krey, T.
登録日2017-04-16
公開日2017-05-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational Flexibility in the Immunoglobulin-Like Domain of the Hepatitis C Virus Glycoprotein E2.
MBio, 8, 2017
5AQ5
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BU of 5aq5 by Molmil
Structure of the Carboxy-Terminal Domain of the Bacteriophage T5 L- Shaped Tail Fibre
分子名称: L-SHAPED TAIL FIBER PROTEIN PB8
著者Garcia-Doval, C, Granell, M, van Raaij, M.J.
登録日2015-09-19
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone.
Viruses, 7, 2015
4IB1
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BU of 4ib1 by Molmil
Structure of cAMP dependent protein kinase A in complex with high K+ concentration, ADP and phosphorylated peptide pSP20
分子名称: ADENOSINE-5'-DIPHOSPHATE, POTASSIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-07
公開日2013-12-11
最終更新日2014-05-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4IAD
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BU of 4iad by Molmil
Low 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, Phosphorylated peptide pSP20, ...
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-06
公開日2013-06-12
最終更新日2016-09-21
実験手法X-RAY DIFFRACTION (1.9 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
4IB0
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BU of 4ib0 by Molmil
X-ray Structure of cAMP dependent protein kinase A in complex with high Na+ concentration, ADP and phosphorylated peptide pSP20
分子名称: ADENOSINE-5'-DIPHOSPHATE, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Gerlits, O, Kovalevsky, A.
登録日2012-12-07
公開日2013-12-11
最終更新日2014-05-28
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4IAZ
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BU of 4iaz by Molmil
Structure of cAMP dependent protein kinase A in complex with high Ba2+ concentration, ADP and phosphorylated peptide pSP20
分子名称: ADENOSINE-5'-DIPHOSPHATE, BARIUM 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 (1.85 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
5NPH
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BU of 5nph by Molmil
Structure of the Hepatitis C virus strain J4 glycoprotein E2 antigenic region 532-540 bound to the Fab fragment of the non-neutralizing antibody DAO5
分子名称: Genome polyprotein, Heavy chain of Fab fragment derived from non-neutralizing antibody DAO5, Light chain of Fab fragment derived from non-neutralizing antibody DAO5
著者Vasiliauskaite, I, Rey, F.A, Krey, T.
登録日2017-04-16
公開日2017-05-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational Flexibility in the Immunoglobulin-Like Domain of the Hepatitis C Virus Glycoprotein E2.
MBio, 8, 2017
4PSY
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BU of 4psy by Molmil
100K crystal structure of Escherichia coli dihydrofolate reductase
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A.
登録日2014-03-08
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 22, 2014
4TT5
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BU of 4tt5 by Molmil
Crystal Structure of CYP119 from Sulfolobus acidocaldarius, complexed with 4-(4-bromophenyl)-1H imidazole
分子名称: 4-(4-bromophenyl)-1H-imidazole, Cytochrome P450 119, GLYCEROL, ...
著者Madrona, Y.
登録日2014-06-19
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献NMR and X-ray Analysis of CYP119 ligand-dependent conformational changes
To Be Published
4JFT
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BU of 4jft by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor N-desmethyl-4-epi-(+)-Codonopsinine
分子名称: (2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol, GLYCEROL, IMIDAZOLE, ...
著者Wright, D.W, Davies, G.J.
登録日2013-02-28
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
3TMJ
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BU of 3tmj by Molmil
Joint X-ray/neutron structure of human carbonic anhydrase II at pH 7.8
分子名称: Carbonic anhydrase 2, ZINC ION
著者Fisher, Z.
登録日2011-08-31
公開日2011-11-09
最終更新日2023-09-13
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Neutron Structure of Human Carbonic Anhydrase II: A Hydrogen-Bonded Water Network "Switch" Is Observed between pH 7.8 and 10.0.
Biochemistry, 50, 2011
4JFS
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BU of 4jfs by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor 4-epi-(+)-Codonopsinine
分子名称: (2S,3S,4R,5S)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Wright, D.W, Davies, G.J.
登録日2013-02-28
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
4JFU
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BU of 4jfu by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor
分子名称: (2S,3R,4S,5S)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol, GLYCEROL, IMIDAZOLE, ...
著者Wright, D.W, Davies, G.J.
登録日2013-02-28
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
4JFV
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BU of 4jfv by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor (2S,3S,4R,5S)-2-[N-(methylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol
分子名称: (3alpha)-[({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene, IMIDAZOLE, SULFATE ION, ...
著者Wright, D.W, Davies, G.J.
登録日2013-02-28
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
3U7T
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BU of 3u7t by Molmil
Room temperature ultra-high resolution time-of-flight neutron and X-ray diffraction studies of H/D exchanged crambin
分子名称: Crambin
著者Chen, J.C.-H.
登録日2011-10-14
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Room-temperature ultrahigh-resolution time-of-flight neutron and X-ray diffraction studies of H/D-exchanged crambin.
Acta Crystallogr.,Sect.F, 68, 2012

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