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8J48
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BU of 8j48 by Molmil
Crystal structure of OY phytoplasma SAP05 in complex with AtGATA18
Descriptor: GATA transcription factor 18, Sequence-variable mosaic (SVM) signal sequence domain-containing protein, ZINC ION
Authors:Dong, C, Yan, X, Yuan, X.
Deposit date:2023-04-19
Release date:2024-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Molecular basis of SAP05-mediated ubiquitin-independent proteasomal degradation of transcription factors.
Nat Commun, 15, 2024
6G0J
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BU of 6g0j by Molmil
Inactive Fe-PP1
Descriptor: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Salvi, F, Barabas, O, Koehn, M.
Deposit date:2018-03-18
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Effects of stably incorporated iron on protein phosphatase-1 structure and activity.
FEBS Lett., 592, 2018
8GUR
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BU of 8gur by Molmil
Cryo-EM structure of CP-CB2-G protein complex
Descriptor: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H.
Deposit date:2022-09-13
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
8IY9
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BU of 8iy9 by Molmil
Structure of Niacin-GPR109A-G protein complex
Descriptor: 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, Guanine nucleotide-binding protein G(o) subunit alpha, ...
Authors:Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
Deposit date:2023-04-04
Release date:2024-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
6G1D
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BU of 6g1d by Molmil
Corynebacterium glutamicum OxyR C206 mutant
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Young, D.R, Pedre, B.P, Messens, J.M.
Deposit date:2018-03-21
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6G97
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BU of 6g97 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G9H
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BU of 6g9h by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-methyl-ethanamide
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G93
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BU of 6g93 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
4DH1
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BU of 4dh1 by Molmil
Low temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with low Mg2+, ATP and IP20
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2012-01-27
Release date:2012-06-27
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity.
Acta Crystallogr.,Sect.D, 68, 2012
8IYH
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BU of 8iyh by Molmil
Structure of MK6892-GPR109A-G-protein complex
Descriptor: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 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:Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
Deposit date:2023-04-04
Release date:2024-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
6G9J
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BU of 6g9j by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
8GFO
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BU of 8gfo by Molmil
Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with GC373
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Kovalevsky, A, Coates, L.
Deposit date:2023-03-08
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors.
J.Biol.Chem., 299, 2023
8IYW
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BU of 8iyw by Molmil
Structure of GSK256073-GPR109A-G-protein complex
Descriptor: 8-chloranyl-3-pentyl-7H-purine-2,6-dione, 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:Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
Deposit date:2023-04-06
Release date:2024-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
8JHN
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BU of 8jhn by Molmil
Structure of MMF-GPR109A-G protein complex
Descriptor: (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid, G protein subunit alpha o1,Guanine nucleotide-binding protein G(o) subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
Deposit date:2023-05-24
Release date:2024-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
6GAO
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BU of 6gao by Molmil
Crystal structure of the T1L reovirus sigma1 coiled coil tail and body
Descriptor: CHLORIDE ION, Outer capsid protein sigma-1
Authors:Dietrich, M.H, Stehle, T.
Deposit date:2018-04-11
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural and Functional Features of the Reovirus sigma 1 Tail.
J. Virol., 92, 2018
8GFR
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BU of 8gfr by Molmil
Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with NBH2
Descriptor: (1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Kovalevsky, A, Coates, L.
Deposit date:2023-03-08
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors.
J.Biol.Chem., 299, 2023
8GFU
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BU of 8gfu by Molmil
Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with nirmatrelvir (NMV)
Descriptor: 3C-like proteinase nsp5, Nirmatrelvir
Authors:Kovalevsky, A, Coates, L.
Deposit date:2023-03-08
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors.
J.Biol.Chem., 299, 2023
8J77
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BU of 8j77 by Molmil
Human high-affinity choline transporter CHT1 in the choline-bound inward-facing occluded conformation
Descriptor: CHOLINE ION, High affinity choline transporter 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gao, Y, Qiu, Y, Zhao, Y.
Deposit date:2023-04-27
Release date:2024-04-10
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Transport mechanism of presynaptic high-affinity choline uptake by CHT1.
Nat.Struct.Mol.Biol., 31, 2024
8GFK
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BU of 8gfk by Molmil
Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304
Descriptor: 3C-like proteinase nsp5
Authors:Kovalevsky, A, Coates, L.
Deposit date:2023-03-08
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors.
J.Biol.Chem., 299, 2023
6FR1
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BU of 6fr1 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-02-15
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.561 Å)
Cite:None
To be published
8JER
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BU of 8jer by Molmil
Structure of Acipimox-GPR109A-G protein complex
Descriptor: 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, 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:Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
Deposit date:2023-05-16
Release date:2024-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
6FSE
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BU of 6fse by Molmil
Mus musculus acetylcholinesterase in complex with 1-(4-(4-Ethylpiperazin-1-yl)piperidin-1-yl)-2-((4'-methoxy-[1,1'-biphenyl]-4-yl)oxy)ethanone dihydrochloride (15)
Descriptor: 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone, 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ...
Authors:Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A.
Deposit date:2018-02-19
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
J.Med.Chem., 61, 2018
8J75
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BU of 8j75 by Molmil
Human high-affinity choline transporter CHT1 in the HC-3-bound outward-facing open conformation, monomeric state
Descriptor: (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), High affinity choline transporter 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gao, Y, Qiu, Y, Zhao, Y.
Deposit date:2023-04-27
Release date:2024-04-10
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Transport mechanism of presynaptic high-affinity choline uptake by CHT1.
Nat.Struct.Mol.Biol., 31, 2024
2NRE
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BU of 2nre by Molmil
Crystal structure of pseudoudirinde synthase TruA in complex with leucyl tRNA
Descriptor: POTASSIUM ION, leucyl tRNA, tRNA pseudouridine synthase A
Authors:Hur, S, Stroud, R.M.
Deposit date:2006-11-01
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4 Å)
Cite:How U38, 39, and 40 of Many tRNAs Become the Targets for Pseudouridylation by TruA.
Mol.Cell, 26, 2007
8J76
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BU of 8j76 by Molmil
Human high-affinity choline transporter CHT1 in the inward-facing apo-open conformation
Descriptor: High affinity choline transporter 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gao, Y, Qiu, Y, Zhao, Y.
Deposit date:2023-04-27
Release date:2024-04-10
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Transport mechanism of presynaptic high-affinity choline uptake by CHT1.
Nat.Struct.Mol.Biol., 31, 2024

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PDB entries from 2024-08-21

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