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8DTX
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BU of 8dtx by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22
Descriptor: COV89-22 heavy chain, COV89-22 light chain, Spike protein S2' stem helix peptide
Authors:Lin, T.H, Lee, C.C.D, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTR
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BU of 8dtr by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14
Descriptor: COV30-14 heavy chain, COV30-14 light chain, Spike protein S2' stem helix peptide
Authors:Lee, C.C.D, Lin, T.H, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTT
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BU of 8dtt by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03
Descriptor: COV93-03 heavy chain, COV93-03 light chain, Spike protein S2' stem helix peptide
Authors:Lee, C.C.D, Lin, T.H, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
4U0L
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BU of 4u0l by Molmil
Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) mutant D131A-D133A
Descriptor: Cyclic AMP-GMP synthase
Authors:Xiang, Y, Zhu, D.Y.
Deposit date:2014-07-12
Release date:2014-09-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
4U0N
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BU of 4u0n by Molmil
Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) deletion mutant D-loop
Descriptor: Cyclic AMP-GMP synthase, MAGNESIUM ION, N-[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid
Authors:Xiang, Y, Zhu, D.Y.
Deposit date:2014-07-12
Release date:2014-09-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
6J07
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BU of 6j07 by Molmil
Crystal structure of human TERB2 and TERB1
Descriptor: Telomere repeats-binding bouquet formation protein 1, Telomere repeats-binding bouquet formation protein 2, ZINC ION
Authors:Wang, Y, Chen, Y, Wu, J, Huang, C, Lei, M.
Deposit date:2018-12-21
Release date:2019-02-27
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope.
Nat Commun, 10, 2019
8D36
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BU of 8d36 by Molmil
Crystal structure of SARS-CoV-2 fusion peptide in complex with neutralizing antibody COV44-62
Descriptor: Neutralizing antibody COV44-62 heavy chain, Neutralizing antibody COV44-62 light chain, Spike protein S2 fusion peptide
Authors:Yuan, M, Lee, C.C.D, Wilson, I.A.
Deposit date:2022-05-31
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8DAO
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BU of 8dao by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV44-79
Descriptor: COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ...
Authors:Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A.
Deposit date:2022-06-13
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8D6Z
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BU of 8d6z by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27
Descriptor: Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide
Authors:Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A.
Deposit date:2022-06-06
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
4U03
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BU of 4u03 by Molmil
Structure of the vibrio cholerae di-nucleotide cyclase (DncV) in complex with GTP and 5MTHFGLU2
Descriptor: Cyclic AMP-GMP synthase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhu, D.Y, Xiang, Y.
Deposit date:2014-07-11
Release date:2014-09-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
4U0M
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BU of 4u0m by Molmil
Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) mutant D193N in complex with ATP, GTP and 5MTHFGLU2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-GMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhu, D, Xiang, Y.
Deposit date:2014-07-12
Release date:2014-09-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
5HW4
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BU of 5hw4 by Molmil
Crystal structure of Escherichia coli 16S rRNA methyltransferase RsmI in complex with AdoMet
Descriptor: Ribosomal RNA small subunit methyltransferase I, S-ADENOSYLMETHIONINE
Authors:Zhao, M, Zhang, H, Dong, Y, Gong, Y.
Deposit date:2016-01-28
Release date:2016-10-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.211 Å)
Cite:Structural Insights into the Methylation of C1402 in 16S rRNA by Methyltransferase RsmI
Plos One, 11, 2016
6J08
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BU of 6j08 by Molmil
Crystal structure of human MAJIN and TERB2
Descriptor: Membrane-anchored junction protein, Telomere repeats-binding bouquet formation protein 2
Authors:Wang, Y, Chen, Y, Wu, J, Huang, C, Lei, M.
Deposit date:2018-12-21
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope.
Nat Commun, 10, 2019
4X1B
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BU of 4x1b by Molmil
Human serum transferrin with ferric ion bound at the C-lobe only
Descriptor: FE (III) ION, GLYCEROL, MALONATE ION, ...
Authors:Wang, M, Zhang, H, Sun, H.
Deposit date:2014-11-24
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:"Anion clamp" allows flexible protein to impose coordination geometry on metal ions
Chem.Commun.(Camb.), 51, 2015
6JUF
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BU of 6juf by Molmil
SspB crystal structure
Descriptor: SspB protein
Authors:Liqiong, L, Yubing, Z.
Deposit date:2019-04-13
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
8FIU
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BU of 8fiu by Molmil
Potent long-acting inhibitors targeting HIV-1 capsid based on a versatile quinazolin-4-one scaffold
Descriptor: 1,2-ETHANEDIOL, HIV-1 capsid, N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
Authors:Nolte, R.T.
Deposit date:2022-12-16
Release date:2023-02-15
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Potent Long-Acting Inhibitors Targeting the HIV-1 Capsid Based on a Versatile Quinazolin-4-one Scaffold.
J.Med.Chem., 66, 2023
1CE9
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BU of 1ce9 by Molmil
HELIX CAPPING IN THE GCN4 LEUCINE ZIPPER
Descriptor: PROTEIN (GCN4-PMSE)
Authors:Lu, M, Shu, W, Ji, H, Spek, E, Wang, L.-Y, Kallenbach, N.R.
Deposit date:1999-03-18
Release date:1999-03-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Helix capping in the GCN4 leucine zipper.
J.Mol.Biol., 288, 1999
6LB9
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BU of 6lb9 by Molmil
Magnesium ion-bound SspB crystal structure
Descriptor: DUF4007 domain-containing protein, MAGNESIUM ION
Authors:Liqiong, L, Yubing, Z.
Deposit date:2019-11-13
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.227 Å)
Cite:SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
4AWP
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BU of 4awp by Molmil
Complex of HSP90 ATPase domain with tropane derived inhibitors
Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
Authors:Lougheed, J.C, Stout, T.J.
Deposit date:2012-06-05
Release date:2012-08-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
4ANV
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BU of 4anv by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
Descriptor: 2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
Authors:Foster, P.G, Lougheed, J.C.
Deposit date:2012-03-22
Release date:2012-05-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
4AWO
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BU of 4awo by Molmil
Complex of HSP90 ATPase domain with tropane derived inhibitors
Descriptor: 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Lougheed, J.C, Stout, T.J.
Deposit date:2012-06-05
Release date:2012-08-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
4AWQ
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BU of 4awq by Molmil
Complex of HSP90 ATPase domain with tropane derived inhibitors
Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide
Authors:Lougheed, J.C, Stout, T.J.
Deposit date:2012-06-05
Release date:2012-08-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
4ANW
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BU of 4anw by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
Descriptor: 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
Authors:Foster, P.G, Lougheed, J.C.
Deposit date:2012-03-22
Release date:2012-05-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
4ANX
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BU of 4anx by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
Descriptor: 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
Authors:Foster, P.G, Lougheed, J.C.
Deposit date:2012-03-22
Release date:2012-05-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
4ANU
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BU of 4anu by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
Descriptor: 3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
Authors:Foster, P.G, Lougheed, J.C.
Deposit date:2012-03-22
Release date:2012-05-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012

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数据于2024-09-11公开中

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