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3QDQ
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BU of 3qdq by Molmil
Complex between 4-hydroxybutyrate CoA-transferase from Clostridium aminobutyricum and CoA
Descriptor: 4-Hydroxybutyrate CoA-transferase, COENZYME A
Authors:Messerschmidt, A, Macieira, S.
Deposit date:2011-01-19
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the complex between 4-hydroxybutyrate CoA-transferase from Clostridium aminobutyricum and CoA.
Arch.Microbiol., 194, 2012
6SJD
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BU of 6sjd by Molmil
ZC3H12B-ribonuclease domain bound to RNA
Descriptor: CACODYLATE ION, MAGNESIUM ION, Probable ribonuclease ZC3H12B, ...
Authors:Morgunova, E, Bourenkov, G, Taipale, J.
Deposit date:2019-08-13
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Binding specificities of human RNA-binding proteins toward structured and linear RNA sequences.
Genome Res., 30, 2020
7KOV
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BU of 7kov by Molmil
Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with thiocyanate
Descriptor: CHLORIDE ION, Cysteine dioxygenase type I protein, FE (III) ION, ...
Authors:Kiser, P.D.
Deposit date:2020-11-10
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center.
J.Biol.Chem., 296, 2021
7L51
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BU of 7l51 by Molmil
Solution NMR structure of the dimeric form of the cyclic plant protein PDP-23 in H2O
Descriptor: Cyclic plant protein PDP-23
Authors:Payne, C.D, Rosengren, K.J.
Deposit date:2020-12-21
Release date:2021-01-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A chameleonic macrocyclic peptide with drug delivery applications.
Chem Sci, 12, 2021
7L53
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BU of 7l53 by Molmil
Solution NMR structure of the monomeric form of the cyclic plant protein PDP-23 in CD3CN/H2O
Descriptor: Cyclic plant protein PDP-23
Authors:Payne, C.D, Rosengren, K.J.
Deposit date:2020-12-21
Release date:2021-01-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A chameleonic macrocyclic peptide with drug delivery applications.
Chem Sci, 12, 2021
7L54
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BU of 7l54 by Molmil
Solution NMR structure of the cyclic plant protein PDP-23 in SDS micelles
Descriptor: Cyclic plant protein PDP-23
Authors:Rosengren, K.J, Payne, C.D.
Deposit date:2020-12-21
Release date:2021-01-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A chameleonic macrocyclic peptide with drug delivery applications.
Chem Sci, 12, 2021
7L55
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BU of 7l55 by Molmil
Solution NMR structure of the cyclic plant protein PDP-23 in DPC micelles
Descriptor: Cyclic plant protein PDP-23
Authors:Payne, C.D, Rosengren, K.J.
Deposit date:2020-12-21
Release date:2021-01-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A chameleonic macrocyclic peptide with drug delivery applications.
Chem Sci, 12, 2021
7C7P
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BU of 7c7p by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir
Descriptor: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION
Authors:Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J.
Deposit date:2020-05-26
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7COM
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BU of 7com by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121)
Descriptor: 3C-like proteinase, boceprevir (bound form)
Authors:Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J.
Deposit date:2020-08-04
Release date:2020-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7LUS
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BU of 7lus by Molmil
IgG2 Fc Charge Pair Mutation version 1 (CPMv1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant gamma 2
Authors:Sudom, A, Whittington, D, Garces, F, Wang, Z.
Deposit date:2021-02-23
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Next generation Fc scaffold for multispecific antibodies.
Iscience, 24, 2021
7LUR
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BU of 7lur by Molmil
Stable Effector Functionless 2 (SEFL2) IgG1 Fc Scaffold Bound to a Minimized Version of the B-domain (Mini-Z) from Protein A Called Z34C
Descriptor: Immunoglobulin heavy constant gamma 1, Mini Z domain
Authors:Sudom, A, Garces, F, Wang, Z.
Deposit date:2021-02-23
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Next generation Fc scaffold for multispecific antibodies.
Iscience, 24, 2021
8AWI
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BU of 8awi by Molmil
Crystal structure of Human Transthyretin at 1.15 Angstrom resolution
Descriptor: SODIUM ION, Transthyretin
Authors:Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
Deposit date:2022-08-29
Release date:2023-03-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
6WJ5
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BU of 6wj5 by Molmil
Structure of human TRPA1 in complex with inhibitor GDC-0334
Descriptor: (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1
Authors:Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H.
Deposit date:2020-04-11
Release date:2021-02-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
7ZJ6
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BU of 7zj6 by Molmil
X-31 Hemagglutinin Precursor HA0 at pH 7.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,Fibritin, ...
Authors:Garcia-Moro, E, Rosenthal, P.B.
Deposit date:2022-04-08
Release date:2022-08-17
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ZJ7
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BU of 7zj7 by Molmil
X-31 Hemagglutinin Precursor HA0 at pH 4.8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,Fibritin, ...
Authors:Garcia-Moro, E, Rosenthal, P.B.
Deposit date:2022-04-08
Release date:2022-08-17
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ZJ8
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BU of 7zj8 by Molmil
X-31 Hemagglutinin Precursor HA0 at pH 7.5 after reneutralization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,Fibritin, ...
Authors:Garcia-Moro, E, Rosenthal, P.B.
Deposit date:2022-04-08
Release date:2022-08-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH.
Proc.Natl.Acad.Sci.USA, 119, 2022
6A5W
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BU of 6a5w by Molmil
FXR-LBD with HNC143 and SRC1
Descriptor: 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
7LV8
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BU of 7lv8 by Molmil
Structure of the Marseillevirus nucleosome
Descriptor: DNA (123-MER), Histone doublet Beta-Alpha (Alpha), Histone doublet Beta-Alpha (Beta), ...
Authors:Valencia-Sanchez, M.I, Abini-Agbomson, S, Armache, K.-J.
Deposit date:2021-02-24
Release date:2021-05-05
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The structure of a virus-encoded nucleosome.
Nat.Struct.Mol.Biol., 28, 2021
7LV9
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BU of 7lv9 by Molmil
Marseillevirus heterotrimeric (hexameric) nucleosome
Descriptor: DNA (96-MER), Histone doublet Beta-Alpha (Alpha), Histone doublet Beta-Alpha (Beta), ...
Authors:Valencia-Sanchez, M.I, Abini-Agbomson, S, Armache, K.-J.
Deposit date:2021-02-24
Release date:2021-05-05
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:The structure of a virus-encoded nucleosome.
Nat.Struct.Mol.Biol., 28, 2021
6A5Y
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BU of 6a5y by Molmil
Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC143 and 9cRA and SRC1
Descriptor: (9cis)-retinoic acid, 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ...
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
6A5X
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BU of 6a5x by Molmil
FXR-LBD with HNC180 and SRC1
Descriptor: 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
7D3I
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BU of 7d3i by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with MI-23
Descriptor: (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase
Authors:Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J.
Deposit date:2020-09-19
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
2EW7
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BU of 2ew7 by Molmil
Crystal Structure of Helicobacter Pylori peptide deformylase
Descriptor: COBALT (II) ION, peptide deformylase
Authors:Cai, J.
Deposit date:2005-11-02
Release date:2006-10-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
6A5Z
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BU of 6a5z by Molmil
Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC180 and 9cRA and SRC1
Descriptor: (9cis)-retinoic acid, 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ...
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
2EW6
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BU of 2ew6 by Molmil
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
Descriptor: (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase
Authors:Cai, J.
Deposit date:2005-11-02
Release date:2006-10-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006

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