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3Q4W
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BU of 3q4w by Molmil
The structure of archaeal inorganic pyrophosphatase in complex with substrate
Descriptor: BROMIDE ION, CALCIUM ION, PYROPHOSPHATE 2-, ...
Authors:Hughes, R.C, Meehan, E.J, Coates, L, Ng, J.D.
Deposit date:2010-12-24
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.441 Å)
Cite:Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
4RGC
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BU of 4rgc by Molmil
277K Crystal structure of Escherichia Coli dihydrofolate reductase
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Wilson, M.A, Wan, Q, Bennett, B.C, Dealwis, C.
Deposit date:2014-09-29
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 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
Descriptor: Epitope peptide, Single chain variable fragment of the non-neutralizing antibody DAO5
Authors:Vasiliauskaite, I, Rey, F.A, Krey, T.
Deposit date:2017-04-16
Release date:2017-05-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational Flexibility in the Immunoglobulin-Like Domain of the Hepatitis C Virus Glycoprotein E2.
MBio, 8, 2017
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
Descriptor: Genome polyprotein, Heavy chain of Fab fragment derived from non-neutralizing antibody DAO5, Light chain of Fab fragment derived from non-neutralizing antibody DAO5
Authors:Vasiliauskaite, I, Rey, F.A, Krey, T.
Deposit date:2017-04-16
Release date:2017-05-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational Flexibility in the Immunoglobulin-Like Domain of the Hepatitis C Virus Glycoprotein E2.
MBio, 8, 2017
5NPJ
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BU of 5npj by Molmil
Structure of the Hepatitis C virus strain JFH1 glycoprotein E2 antigenic region 532-540 bound to the single chain variable fragment of the non-neutralizing antibody DAO5
Descriptor: Epitope peptide, Single chain variable fragment of the non-neutralizing antibody DAO5
Authors:Vasiliauskaite, I, Rey, F.A, Krey, T.
Deposit date:2017-04-16
Release date:2017-05-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A.
Deposit date:2014-03-08
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 22, 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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphorylated peptide pSP20, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (1.9 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
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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-12-11
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (1.87 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BARIUM 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 (1.85 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
3QN2
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BU of 3qn2 by Molmil
Structure-based design of a disulfide-linked oligomeric form of the Simian Virus 40 (SV40) large T antigen DNA binding domain
Descriptor: CITRATE ANION, Large T antigen
Authors:Meinke, G, Bullock, P.A.
Deposit date:2011-02-07
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.661 Å)
Cite:Structure-based design of a disulfide-linked oligomeric form of the simian virus 40 (SV40) large T antigen DNA-binding domain.
Acta Crystallogr.,Sect.D, 67, 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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, GLYCEROL, ...
Authors:Rey, F.A, Duquerroy, S, Crampon, E, Barba-Spaeth, G.
Deposit date:2017-10-11
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex
Mbio, 2023
4QC7
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BU of 4qc7 by Molmil
Dodecamer structure of 5-formylcytosine containing DNA
Descriptor: short DNA strands
Authors:Szulik, M.W, Pallan, P, Egli, M, Stone, M.P.
Deposit date:2014-05-09
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Differential stabilities and sequence-dependent base pair opening dynamics of watson-crick base pairs with 5-hydroxymethylcytosine, 5-formylcytosine, or 5-carboxylcytosine.
Biochemistry, 54, 2015
4TT5
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BU of 4tt5 by Molmil
Crystal Structure of CYP119 from Sulfolobus acidocaldarius, complexed with 4-(4-bromophenyl)-1H imidazole
Descriptor: 4-(4-bromophenyl)-1H-imidazole, Cytochrome P450 119, GLYCEROL, ...
Authors:Madrona, Y.
Deposit date:2014-06-19
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite: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
Descriptor: (2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol, GLYCEROL, IMIDAZOLE, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2013-02-28
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
4JFS
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BU of 4jfs by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor 4-epi-(+)-Codonopsinine
Descriptor: (2S,3S,4R,5S)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2013-02-28
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: (2S,3R,4S,5S)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol, GLYCEROL, IMIDAZOLE, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2013-02-28
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
4FC1
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BU of 4fc1 by Molmil
Ultra-high resolution neutron structure of crambin at room-temperature
Descriptor: Crambin
Authors:Kovalevsky, A.Y, Chen, J.C.-H.
Deposit date:2012-05-23
Release date:2012-09-19
Last modified:2018-06-06
Method:NEUTRON DIFFRACTION (1.1 Å)
Cite:Direct observation of hydrogen atom dynamics and interactions by ultrahigh resolution neutron protein crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TMJ
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BU of 3tmj by Molmil
Joint X-ray/neutron structure of human carbonic anhydrase II at pH 7.8
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Fisher, Z.
Deposit date:2011-08-31
Release date:2011-11-09
Last modified:2023-09-13
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite: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
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
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Peptide SP20, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (2.15 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
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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CARBONATE 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 (1.55 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
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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, phosphorylated pseudo-substrate peptide pSP20
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-12-11
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, POTASSIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-12-11
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4TRI
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BU of 4tri by Molmil
X-ray crystal structure of CYP142A2 from Mycobacterium smegmatis, complexed with cholesterol sulfate.
Descriptor: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, GLYCEROL, P450 heme-thiolate protein, ...
Authors:Madrona, Y, Ortiz de Montellano, P.
Deposit date:2014-06-17
Release date:2014-09-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cholesterol ester oxidation by mycobacterial cytochrome p450.
J.Biol.Chem., 289, 2014
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
Descriptor: (3alpha)-[({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene, IMIDAZOLE, SULFATE ION, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2013-02-28
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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
Descriptor: Crambin
Authors:Chen, J.C.-H.
Deposit date:2011-10-14
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.85 Å)
Cite: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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数据于2024-08-14公开中

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