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4Z0C
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BU of 4z0c by Molmil
Crystal structure of TLR13-ssRNA13 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-R(P*AP*CP*GP*GP*AP*AP*AP*GP*AP*CP*CP*CP*C)-3'), ...
Authors:Song, W, Han, Z, Chai, J.
Deposit date:2015-03-26
Release date:2015-10-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for specific recognition of single-stranded RNA by Toll-like receptor 13
Nat.Struct.Mol.Biol., 22, 2015
8A8E
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BU of 8a8e by Molmil
PPSA C terminal octahedral structure
Descriptor: Phosphoenolpyruvate synthase
Authors:Song, W.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Survival strategies in the heat Lysine acetylation stabilizes the quaternary structure of a Mega-Dalton hyperthermophilic PEP-synthase
To Be Published
5HYX
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BU of 5hyx by Molmil
Plant peptide hormone receptor RGFR1 in complex with RGF1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PTR-SER-ASN-PRO-GLY-HIS-HIS-PRO-HYP-ARG-HIS-ASN, ...
Authors:Song, W, Han, Z, Chai, J.
Deposit date:2016-02-02
Release date:2017-01-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Signature motif-guided identification of receptors for peptide hormones essential for root meristem growth
Cell Res., 26, 2016
5HZ3
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BU of 5hz3 by Molmil
Plant peptide hormone receptor RGFR1 in complex with RGFR5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASP-PTR-PRO-LYS-PRO-SER-THR-ARG-PRO-HYP-ARG-HIS-ASN, ...
Authors:Song, W, Han, Z, Chai, J.
Deposit date:2016-02-02
Release date:2017-03-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Plant Receptor
To Be Published
5HZ0
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BU of 5hz0 by Molmil
Plant peptide hormone receptor RGFR1 in complex with RGF2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASP-PTR-TRP-LYS-PRO-ARG-HIS-HIS-PRO-HYP-ARG-ASN-ASN, ...
Authors:Song, W, Han, Z, Chai, J.
Deposit date:2016-02-02
Release date:2017-04-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Plant Receptor
To Be Published
5HZ1
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BU of 5hz1 by Molmil
Plant peptide hormone receptor RGFR1 in complex with RGF3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASP-PTR-TRP-ARG-ALA-LYS-HIS-HIS-PRO-HYP-LYS-ASN-ASN, ...
Authors:Song, W, Han, Z, Chai, J.
Deposit date:2016-02-02
Release date:2017-03-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Plant Receptor
To Be Published
8CIE
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BU of 8cie by Molmil
Crystal structure of the human CDKL5 kinase domain with compound YL-354
Descriptor: 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide, Cyclin-dependent kinase-like 5, SULFATE ION
Authors:Richardson, W, Chen, X, Newman, J.A, Bakshi, S, Lakshminarayana, B, Brooke, L, Bullock, A.N.
Deposit date:2023-02-09
Release date:2023-06-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective.
Acs Chem Neurosci, 14, 2023
7XOZ
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BU of 7xoz by Molmil
Crystal structure of RPPT-TIR
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase
Authors:Song, W, Jia, A, Huang, S, Chai, J.
Deposit date:2022-05-02
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
6ACG
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BU of 6acg by Molmil
Trypsin-cleaved and low pH-treated SARS-CoV spike glycoprotein and ACE2 complex, ACE2-bound conformation 1
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Gui, M, Song, W.
Deposit date:2018-07-26
Release date:2018-08-08
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Cryo-EM structure of the SARS coronavirus spike glycoprotein in complex with its host cell receptor ACE2.
PLoS Pathog., 14, 2018
6ACJ
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BU of 6acj by Molmil
Trypsin-cleaved and low pH-treated SARS-CoV spike glycoprotein and ACE2 complex, ACE2-bound conformation 2
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Gui, M, Song, W.
Deposit date:2018-07-26
Release date:2018-08-08
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of the SARS coronavirus spike glycoprotein in complex with its host cell receptor ACE2.
PLoS Pathog., 14, 2018
6ACK
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BU of 6ack by Molmil
Trypsin-cleaved and low pH-treated SARS-CoV spike glycoprotein and ACE2 complex, ACE2-bound conformation 3
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Gui, M, Song, W.
Deposit date:2018-07-26
Release date:2018-08-08
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Cryo-EM structure of the SARS coronavirus spike glycoprotein in complex with its host cell receptor ACE2.
PLoS Pathog., 14, 2018
6ACD
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BU of 6acd by Molmil
Trypsin-cleaved and low pH-treated SARS-CoV spike glycoprotein and ACE2 complex, ACE2-free conformation with one RBD in up conformation
Descriptor: Spike glycoprotein
Authors:Gui, M, Song, W.
Deposit date:2018-07-26
Release date:2018-08-08
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structure of the SARS coronavirus spike glycoprotein in complex with its host cell receptor ACE2.
PLoS Pathog., 14, 2018
6ACC
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BU of 6acc by Molmil
Trypsin-cleaved and low pH-treated SARS-CoV spike glycoprotein and ACE2 complex, ACE2-free conformation with three RBD in down conformation
Descriptor: Spike glycoprotein
Authors:Gui, M, Song, W.
Deposit date:2018-07-26
Release date:2018-08-08
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of the SARS coronavirus spike glycoprotein in complex with its host cell receptor ACE2.
PLoS Pathog., 14, 2018
8HR6
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BU of 8hr6 by Molmil
leucine DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ from Bacillus thuringiensis
Descriptor: Leucine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Li, X, Song, W.
Deposit date:2022-12-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023
8HPE
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BU of 8hpe by Molmil
Crystal structure of Leucine dehydrogenase
Descriptor: GLYCEROL, Leucine dehydrogenase, SULFATE ION
Authors:Li, X, Song, W.
Deposit date:2022-12-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023
7O2T
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BU of 7o2t by Molmil
PqsR (MvfR) in complex with antagonist 61
Descriptor: 2-[4-[(2S)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile, LysR family transcriptional regulator
Authors:Emsley, J, Richardson, W.
Deposit date:2021-03-31
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:PqsR (MvfR) in complex with antagonist 61
To Be Published
7O2U
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BU of 7o2u by Molmil
PqsR (MvfR) in complex with antagonist 40
Descriptor: 2-[4-[(2S)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile, LysR family transcriptional regulator
Authors:Emsley, J, Richardson, W.
Deposit date:2021-03-31
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:PqsR (MvfR) in complex with antagonist 40
To Be Published
8HP4
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BU of 8hp4 by Molmil
CtPDC complex
Descriptor: MAGNESIUM ION, Pyruvate decarboxylase, THIAMINE DIPHOSPHATE
Authors:Xu, H.H, Song, W.
Deposit date:2022-12-11
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Protein engineering of pyruvate decarboxylase to remove the rate-limiting bottleneck in the cascade pathway of tyrosol synthesis
To Be Published
8HP2
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BU of 8hp2 by Molmil
CtPDC
Descriptor: Pyruvate decarboxylase
Authors:Xu, H.H, Song, W.
Deposit date:2022-12-11
Release date:2024-01-17
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Protein engineering of pyruvate decarboxylase to remove the rate-limiting bottleneck in the cascade pathway of tyrosol synthesis
To Be Published
3N9I
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BU of 3n9i by Molmil
Crystal structure of tryptophanyl-tRNA synthetase from Yersinia pestis CO92
Descriptor: CALCIUM ION, GLYCEROL, Tryptophanyl-tRNA synthetase
Authors:Nocek, B, Maltseva, N, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-05-30
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of tryptophanyl-tRNA synthetase from Yersinia pestis CO92
TO BE PUBLISHED
3N2A
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BU of 3n2a by Molmil
Crystal structure of bifunctional folylpolyglutamate synthase/dihydrofolate synthase from Yersinia pestis CO92
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional folylpolyglutamate synthase/dihydrofolate synthase, ...
Authors:Nocek, B, Maltseva, N, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-05-17
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of bifunctional folylpolyglutamate synthase/dihydrofolate synthase from Yersinia pestis CO92
TO BE PUBLISHED
4D09
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BU of 4d09 by Molmil
PDE2a catalytic domain in complex with a brain penetrant inhibitor
Descriptor: CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, MAGNESIUM ION, ...
Authors:Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y.
Deposit date:2014-04-24
Release date:2014-08-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
9FGO
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BU of 9fgo by Molmil
Crystal structure of Enterovirus 71 2A protease mutant C110A containing VP1-2A junction in the active site
Descriptor: CHLORIDE ION, Polyprotein, ZINC ION
Authors:Ni, X, Koekemoer, L, Williams, E.P, Wang, S, Wright, N.D, Godoy, A.S, Aschenbrenner, J.C, Balcomb, B.H, Lithgo, R.M, Marples, P.G, Fairhead, M, Thompson, W, Kirkegaard, K, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2024-05-24
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of Enterovirus 71 2A protease mutant C110A containing VP1-2A junction in the active site
To Be Published
2M6M
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BU of 2m6m by Molmil
Solution structure of RING domain of E3 ubiquitin ligase Doa10
Descriptor: ERAD-associated E3 ubiquitin-protein ligase DOA10, ZINC ION
Authors:Lim, J, Son, W.
Deposit date:2013-04-06
Release date:2014-05-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of RING domain of E3 ubiquitin ligase Doa10
To be Published
7GB3
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BU of 7gb3 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with DAV-CRI-3edb475e-6 (Mpro-x10172)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.379 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023

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數據於2024-09-11公開中

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