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8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
Descriptor: Spike protein S1, scFv
Authors:Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
Deposit date:2022-08-27
Release date:2023-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
4M6T
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BU of 4m6t by Molmil
Structure of human Paf1 and Leo1 complex
Descriptor: RNA polymerase II-associated factor 1 homolog, Linker, RNA polymerase-associated protein LEO1, ...
Authors:Shen, Y, Qin, X.
Deposit date:2013-08-11
Release date:2013-10-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Structural insights into Paf1 complex assembly and histone binding
Nucleic Acids Res., 41, 2013
5D4T
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BU of 5d4t by Molmil
SeMet-labelled HcgC from Methanocaldococcus jannaschii in space group P212121
Descriptor: Uncharacterized protein MJ0489
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-09
Release date:2016-07-20
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
5D4V
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BU of 5d4v by Molmil
HcgC with SAH and a guanylylpyridinol (GP) derivative
Descriptor: 5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-09
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
5D5T
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BU of 5d5t by Molmil
SeMet-labelled HcgC from Methanocaldococcus jannaschii in P1 space group
Descriptor: Uncharacterized protein MJ0489
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-11
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
5D4U
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BU of 5d4u by Molmil
SAM-bound HcgC from Methanocaldococcus jannaschii
Descriptor: S-ADENOSYLMETHIONINE, SULFATE ION, Uncharacterized protein MJ0489
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-09
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
5D5O
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BU of 5d5o by Molmil
HcgC from Methanocaldococcus jannaschii
Descriptor: SULFATE ION, Uncharacterized protein MJ0489
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-11
Release date:2016-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
8DT3
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BU of 8dt3 by Molmil
Cryo-EM structure of spike binding to Fab of neutralizing antibody (locally refined)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of SW186, Light chain Fab of SW186, ...
Authors:Sun, P.C, Fang, Y, Bai, X.C, Chen, Z.J.
Deposit date:2022-07-25
Release date:2022-08-03
Last modified:2022-11-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:An antibody that neutralizes SARS-CoV-1 and SARS-CoV-2 by binding to a conserved spike epitope outside the receptor binding motif.
Sci Immunol, 7, 2022
7L7E
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BU of 7l7e by Molmil
Crystal structure of SARS-CoV-2 spike RBD in complex with human monoclonal antibodies AZD8895 and AZD1061
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike protein S1, ...
Authors:Dong, J, Crowe, J.E.
Deposit date:2020-12-28
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Genetic and structural basis for SARS-CoV-2 variant neutralization by a two-antibody cocktail.
Nat Microbiol, 6, 2021
7L7D
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BU of 7l7d by Molmil
Crystal structure of SARS-CoV-2 spike RBD in complex with human monoclonal antibody AZD8895
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Dong, J, Crowe, J.E.
Deposit date:2020-12-28
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Genetic and structural basis for SARS-CoV-2 variant neutralization by a two-antibody cocktail.
Nat Microbiol, 6, 2021
3G9L
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BU of 3g9l by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-styrylindolin-2-one
Descriptor: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Jacobs, M.D.
Deposit date:2009-02-13
Release date:2009-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3G9N
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BU of 3g9n by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one
Descriptor: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Jacobs, M.D.
Deposit date:2009-02-13
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4LD7
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BU of 4ld7 by Molmil
Crystal structure of AnaPT from Neosartorya fischeri
Descriptor: Dimethylallyl tryptophan synthase, SODIUM ION, TRIHYDROGEN THIODIPHOSPHATE
Authors:Zocher, G, Stehle, T.
Deposit date:2013-06-24
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Catalytic Mechanism of Stereospecific Formation of cis-Configured Prenylated Pyrroloindoline Diketopiperazines by Indole Prenyltransferases.
Chem.Biol., 20, 2013
3I4B
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BU of 3i4b by Molmil
Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor
Descriptor: Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
Authors:Ter Haar, E.
Deposit date:2009-07-01
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
6VG5
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BU of 6vg5 by Molmil
DengueV-2 Capsid ST148 inhibitor Complex
Descriptor: 3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, Capsid premembrane protein, GLYCEROL, ...
Authors:White, M, Xia, H, Shi, P.
Deposit date:2020-01-07
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A cocrystal structure of dengue capsid protein in complex of inhibitor.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VSO
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BU of 6vso by Molmil
DengueV-2 Capsid Structure
Descriptor: Capsid premembrane protein, GLYCEROL, NITRATE ION
Authors:White, M, Xia, H, Shi, P.
Deposit date:2020-02-11
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:A cocrystal structure of dengue capsid protein in complex of inhibitor.
Proc.Natl.Acad.Sci.USA, 117, 2020
6JOY
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BU of 6joy by Molmil
The X-ray Crystallographic Structure of Branching Enzyme from Rhodothermus obamensis STB05
Descriptor: 1,4-alpha-glucan branching enzyme GlgB
Authors:Li, Z.F, Ban, X.F, Jiang, H.M, Wang, Z, Jin, T.C, Li, C.M, Gu, Z.B.
Deposit date:2019-03-25
Release date:2020-03-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:Flexible Loop in Carbohydrate-Binding Module 48 Allosterically Modulates Substrate Binding of the 1,4-alpha-Glucan Branching Enzyme.
J.Agric.Food Chem., 69, 2021
8X17
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BU of 8x17 by Molmil
Cryo-EM structure of adenosine receptor A3AR bound to CF102
Descriptor: Adenosine receptor A3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cai, H, Xu, Y, Xu, H.E.
Deposit date:2023-11-06
Release date:2024-04-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists.
Nat Commun, 15, 2024
8X16
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BU of 8x16 by Molmil
Cryo-EM structure of adenosine receptor A3AR bound to CF101
Descriptor: Adenosine receptor A3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cai, H, Xu, Y, Xu, H.E.
Deposit date:2023-11-06
Release date:2024-04-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists.
Nat Commun, 15, 2024
8TM1
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BU of 8tm1 by Molmil
Antibody N3-1 bound to RBDs in the up and down conformations
Descriptor: N3-1 Fab heavy chain, N3-1 Fab light chain, Spike glycoprotein
Authors:Hsieh, C.-L, McLellan, J.S.
Deposit date:2023-07-27
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023
8TMA
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BU of 8tma by Molmil
Antibody N3-1 bound to RBD in the up conformation
Descriptor: N3-1 Fab heavy chain, N3-1 Fab light chain, Spike glycoprotein
Authors:Hsieh, C.-L, McLellan, J.S.
Deposit date:2023-07-29
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023
8WD8
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BU of 8wd8 by Molmil
Cryo-EM structure of TtdAgo-guide DNA-target DNA complex
Descriptor: Argonaute family protein, Guide DNA, MAGNESIUM ION, ...
Authors:Zhuang, L.
Deposit date:2023-09-14
Release date:2024-01-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
6IWK
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BU of 6iwk by Molmil
The Structure of Maltooligosaccharide-forming Amylase from Pseudomonas saccharophila STB07
Descriptor: CALCIUM ION, GLYCEROL, Glucan 1,4-alpha-maltotetraohydrolase
Authors:Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
6JQB
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BU of 6jqb by Molmil
The structure of maltooligosaccharide-forming amylase from Pseudomonas saccharophila STB07 with pseudo-maltoheptaose
Descriptor: 1,2-ETHANEDIOL, ACARBOSE DERIVED HEPTASACCHARIDE, CALCIUM ION, ...
Authors:Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
Deposit date:2019-03-30
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
3O24
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BU of 3o24 by Molmil
Crystal structure of the brevianamide F prenyltransferase FtmPT1 from Aspergillus fumigatus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Brevianamide F prenyltransferase, CHLORIDE ION, ...
Authors:Jost, M, Zocher, G.E, Stehle, T.
Deposit date:2010-07-22
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-function analysis of an enzymatic prenyl transfer reaction identifies a reaction chamber with modifiable specificity.
J.Am.Chem.Soc., 132, 2010

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