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PDB: 677 results

6N5C
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BU of 6n5c by Molmil
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PCF2Am-InsP5
Descriptor: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Wang, H, Shears, S.B, Riley, A, Potter, B.
Deposit date:2018-11-21
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Synthesis of an alpha-phosphono-alpha , alpha-difluoroacetamide analogue of the diphosphoinositol pentakisphosphate 5-InsP7.
Medchemcomm, 10, 2019
8JHO
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BU of 8jho by Molmil
Cryo-EM structure of the histone deacetylase complex Rpd3S in complex with di-nucleosome
Descriptor: Chromatin modification-related protein EAF3, Di-nucleosome template foward, Di-nucleosome template reverse, ...
Authors:Wang, H.
Deposit date:2023-05-25
Release date:2023-09-27
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Structure of histone deacetylase complex Rpd3S bound to nucleosome.
Nat.Struct.Mol.Biol., 30, 2023
7CGD
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BU of 7cgd by Molmil
Silver-bound E.coli malate dehydrogenase
Descriptor: Malate dehydrogenase, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-07-01
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm.
Chem Sci, 11, 2020
7CB0
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BU of 7cb0 by Molmil
The apo 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
Descriptor: 6-phosphogluconate dehydrogenase, decarboxylating
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-04-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7CB5
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BU of 7cb5 by Molmil
The 6-phosphogluconate dehydrogenase from Staphylococcus aureus (6-phosphogluconate bound)
Descriptor: 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7CB6
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BU of 7cb6 by Molmil
The silver-bound 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
Descriptor: 6-phosphogluconate dehydrogenase, decarboxylating, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7CB2
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BU of 7cb2 by Molmil
The 6-phosphogluconate dehydrogenase (NADP-bound) from Staphylococcus aureus
Descriptor: 6-phosphogluconate dehydrogenase, decarboxylating, CITRIC ACID, ...
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The 6-phosphogluconate dehydrogenase (NADP-bound) structures from Staphylococcus aureus
To Be Published
8TYV
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BU of 8tyv by Molmil
Crystal structure of the SPX domain of XPR1 in complex with IP8
Descriptor: (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Solute carrier family 53 member 1
Authors:Wang, H, Shears, S.B.
Deposit date:2023-08-25
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Co-ordination of cellular phosphate uptake and efflux requires an organelle-based receptor for the inositol pyrophosphate, IP8
To Be Published
8TYU
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BU of 8tyu by Molmil
High-resolution crystal structure of the SPX domain of XPR1 at 1.4 angstroms
Descriptor: Solute carrier family 53 member 1
Authors:Wang, H, Shears, S.B.
Deposit date:2023-08-25
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Co-ordination of cellular phosphate uptake and efflux requires an organelle-based receptor for the inositol pyrophosphate, IP8
To Be Published
5YXA
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BU of 5yxa by Molmil
Crystal structure of the C-terminal fragment of NS1 protein from yellow fever virus
Descriptor: Non-structural protein 1
Authors:Wang, H, Song, H, Qi, J, Shi, Y, Gao, G.F.
Deposit date:2017-12-04
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the C-terminal fragment of NS1 protein from yellow fever virus.
Sci China Life Sci, 60, 2017
6I6I
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BU of 6i6i by Molmil
Circular permutant of ribosomal protein S6, adding 6aa to C terminal of P68-69, L75A mutant
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6, SULFATE ION
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I6E
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BU of 6i6e by Molmil
Circular permutant of ribosomal protein S6, swap strand 1 , L10A mutant
Descriptor: 30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I69
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BU of 6i69 by Molmil
Circular permutant of ribosomal protein S6, adding 5aa to C terminal of P97-3, L10A mutant
Descriptor: 30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I6O
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BU of 6i6o by Molmil
Circular permutant of ribosomal protein S6, swap helix 2, L75A mutant
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I6Y
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BU of 6i6y by Molmil
Circular permutant of ribosomal protein S6, swap helix 2
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I6U
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BU of 6i6u by Molmil
Circular permutant of ribosomal protein S6, adding 9aa to N terminal of P81-82, L75A mutant
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I6W
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BU of 6i6w by Molmil
Circular permutant of ribosomal protein S6, adding 6aa to C terminal of P68-69
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ISA
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BU of 6isa by Molmil
mCD226
Descriptor: CD226 antigen
Authors:Wang, H, Qi, J, Zhang, S, Li, Y, Tan, S, Gao, G.F.
Deposit date:2018-11-16
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6ISB
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BU of 6isb by Molmil
crystal structure of human CD226
Descriptor: CD226 antigen
Authors:Wang, H, Qi, J, Zhang, S, Li, Y, Tan, S, Gao, G.F.
Deposit date:2018-11-16
Release date:2018-12-26
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5WH5
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BU of 5wh5 by Molmil
Crystal structure of the PDE4D2 catalytic domain in complex with inhibitor (R)-Zl-n-91
Descriptor: 1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, MAGNESIUM ION, ZINC ION, ...
Authors:Wang, H.
Deposit date:2017-07-14
Release date:2018-07-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of a PDE4-Specific Pocket for the Design of Selective Inhibitors.
Biochemistry, 57, 2018
6I6S
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BU of 6i6s by Molmil
Circular permutant of ribosomal protein S6, adding 9aa to C terminal of P68-69, L75A mutant
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6, POTASSIUM ION, SODIUM ION
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ISC
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BU of 6isc by Molmil
complex structure of mCD226-ecto and hCD155-D1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CD226 antigen, Poliovirus receptor
Authors:Wang, H, Qi, J, Zhang, S, Li, Y, Tan, S, Gao, G.F.
Deposit date:2018-11-16
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5YQN
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BU of 5yqn by Molmil
Crystal structure of Sirt2 in complex with selective inhibitor L55
Descriptor: DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Wang, H, Yu, Y, Li, G, Chen, Q.
Deposit date:2017-11-07
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
5YQO
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BU of 5yqo by Molmil
Crystal structure of Sirt2 in complex with selective inhibitor L5C
Descriptor: N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION
Authors:Wang, H, Yu, Y, Li, G, Chen, Q.
Deposit date:2017-11-07
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.483 Å)
Cite:X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
5YQL
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BU of 5yql by Molmil
Crystal structure of Sirt2 in complex with selective inhibitor A2I
Descriptor: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Wang, H, Yu, Y, Li, G, Chen, Q.
Deposit date:2017-11-07
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018

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