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PDB: 46130 results

6WOJ
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Structure of the SARS-CoV-2 macrodomain (NSP3) in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Gao, F.P, Fehr, A.R.
Deposit date:2020-04-24
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The SARS-CoV-2 Conserved Macrodomain Is a Mono-ADP-Ribosylhydrolase.
J.Virol., 95, 2021
8GJG
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De novo design of high-affinity protein binders to bioactive helical peptides
Descriptor: gluc_A04_0005, gluc_A04_0005 Binder
Authors:Leung, P.J.Y, Bera, A.K, Torres, S.V, Baker, D, Kang, A.
Deposit date:2023-03-15
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
7NEU
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Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (TAFIa)
Descriptor: (1R,3S)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1H-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brown, D.G, Schaffner, A.P, Vuillard, L.M, Gloanec, P, Raimbauld, E.
Deposit date:2021-02-04
Release date:2021-04-07
Last modified:2021-04-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Phosphinanes and Azaphosphinanes as Potent and Selective Inhibitors of Activated Thrombin-Activatable Fibrinolysis Inhibitor (TAFIa).
J.Med.Chem., 64, 2021
7AX4
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BU of 7ax4 by Molmil
Human TYK2 pseudokinase domain (575-869) in complex with 5-(4-Fluoro-phenyl)-2-ureido-thiophene-3-carboxylic acid amide.
Descriptor: 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide, CALCIUM ION, Non-receptor tyrosine-protein kinase TYK2
Authors:Rowland, P.
Deposit date:2020-11-09
Release date:2021-04-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Reducing False Positives through the Application of Fluorescence Lifetime Technology: A Comparative Study Using TYK2 Kinase as a Model System.
SLAS Discov, 26, 2021
5N6W
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Retinoschisin R141H Mutant
Descriptor: Retinoschisin
Authors:Ramsay, E.P, Collins, R.F, Owens, T.W, Siebert, C.A, Jones, R.P.O, Roseman, A, Wang, T, Baldock, C.
Deposit date:2017-02-16
Release date:2017-04-12
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural analysis of X-linked retinoschisis mutations reveals distinct classes which differentially effect retinoschisin function
Human Molecular Genetics, 25, 2016
4RUA
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BU of 4rua by Molmil
Crystal structure of Y-family DNA polymerase Dpo4 bypassing a MeFapy-dG adduct
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase IV, ...
Authors:Patra, A, Banerjee, S, Stone, M.P, Egli, M.
Deposit date:2014-11-18
Release date:2015-08-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Structural Basis for Error-Free Bypass of the 5-N-Methylformamidopyrimidine-dG Lesion by Human DNA Polymerase eta and Sulfolobus solfataricus P2 Polymerase IV.
J.Am.Chem.Soc., 137, 2015
8DZL
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BU of 8dzl by Molmil
Structure of the K39Q mutant of rat somatic Cytochrome c at 1.36A
Descriptor: Cytochrome c, somatic, HEME C
Authors:Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J.
Deposit date:2022-08-08
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle.
Nat Commun, 14, 2023
7AYG
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BU of 7ayg by Molmil
oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ...
Authors:Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J.
Deposit date:2020-11-12
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
7B2E
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quadruple mutant of oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ...
Authors:Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J.
Deposit date:2020-11-26
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
7S0D
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BU of 7s0d by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody N-612-014
Descriptor: N-612-014 Fab Heavy Chain, N-612-014 Light Chain, Spike glycoprotein
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-08-30
Release date:2021-10-06
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display.
Cell Rep, 38, 2022
7S0E
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Structure of the SARS-CoV-2 S1 subunit in complex with antibody N-612-004
Descriptor: N-612-004 Fab heavy chain, N-612-004 Light Chain, Spike glycoprotein
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-08-30
Release date:2021-10-06
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display.
Cell Rep, 38, 2022
7S0B
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BU of 7s0b by Molmil
Structure of the SARS-CoV-2 RBD in complex with neutralizing antibody N-612-056
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-612-056 Fab Heavy Chain, N-612-056 Light Chain, ...
Authors:Tanaka, S, Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-08-30
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display.
Cell Rep, 38, 2022
5NBL
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BU of 5nbl by Molmil
Crystal structure of the Arp4-N-actin(APO-state) heterodimer bound by a nanobody
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ...
Authors:Knoll, K.R, Eustermann, S, Hopfner, K.P.
Deposit date:2017-03-02
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The nuclear actin-containing Arp8 module is a linker DNA sensor driving INO80 chromatin remodeling.
Nat. Struct. Mol. Biol., 25, 2018
7S0C
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BU of 7s0c by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody N-612-017
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-612-017 Fab Heavy Chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-08-30
Release date:2021-10-06
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display.
Cell Rep, 38, 2022
7UQT
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BU of 7uqt by Molmil
Solution NMR structure of hexahistidine tagged QseM (6H-QseM)
Descriptor: Quorum sensing master protein
Authors:Hall, D.A, Solomon, P.D, Bond, C.S, Ramsay, J.P, Mackay, J.P.
Deposit date:2022-04-20
Release date:2023-03-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:DUF2285 is a novel helix-turn-helix domain variant that orchestrates both activation and antiactivation of conjugative element transfer in proteobacteria.
Nucleic Acids Res., 51, 2023
8DWF
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BU of 8dwf by Molmil
Glycosylase MutY variant E43S in complex with DNA containing d(8-oxo-G) paired with substrate adenine
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Adenine DNA glycosylase, ...
Authors:Russelburg, L.P, Demir, M, David, S.S, Horvath, M.P.
Deposit date:2022-08-01
Release date:2023-08-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Base Engagement and Stereochemistry Revealed by Alteration of Catalytic Residue Glu43 in DNA Repair Glycosylase MutY
To Be Published
6XJD
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BU of 6xjd by Molmil
Two mouse cGAS catalytic domain binding to human assembled nucleosome
Descriptor: Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1, ...
Authors:Xu, P, Li, P, Zhao, B.
Deposit date:2020-06-23
Release date:2020-09-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:The molecular basis of tight nuclear tethering and inactivation of cGAS.
Nature, 587, 2020
7AIO
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BU of 7aio by Molmil
Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl (Subclass)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L, Structural Genomics Consortium (SGC)
Deposit date:2020-09-28
Release date:2021-06-02
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
7AIQ
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BU of 7aiq by Molmil
Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Subclass 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Solute carrier family 12 member 4, ...
Authors:Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Liko, I, Tehan, B.G, Almeida, F.G, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC)
Deposit date:2020-09-28
Release date:2021-06-02
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
7QIZ
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BU of 7qiz by Molmil
Specific features and methylation sites of a plant 80S ribosome
Descriptor: 1,4-DIAMINOBUTANE, 18S, 25S rRNA, ...
Authors:Cottilli, P, Itoh, Y, Amunts, A.
Deposit date:2021-12-16
Release date:2022-08-03
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.38 Å)
Cite:Cryo-EM structure and rRNA modification sites of a plant ribosome.
Plant Commun., 3, 2022
7UL8
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BU of 7ul8 by Molmil
[T:Au+:T--pH 11] Metal-mediated DNA base pair in tensegrity triangle
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2022-04-04
Release date:2023-04-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (4.22 Å)
Cite:Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 35, 2023
8VFD
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BU of 8vfd by Molmil
Ternary DNA Polymerase Beta bound to DNA containing template FapydG incoming TTP analog
Descriptor: 1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
Authors:Oden, P.N, Ryan, B.J, Freudenthal, B.D.
Deposit date:2023-12-21
Release date:2024-05-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
5N1Y
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BU of 5n1y by Molmil
HLA-A02 carrying MVWGPDPLYV
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2017-02-06
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J. Clin. Invest., 126, 2016
5N2L
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BU of 5n2l by Molmil
Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, SULFATE ION, ...
Authors:Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-02-07
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
To Be Published
5NBC
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BU of 5nbc by Molmil
Structure of Prokaryotic Transcription Factors
Descriptor: Ferric uptake regulation protein, MANGANESE (II) ION, ZINC ION
Authors:Perard, J, Carpentier, P, Michaud-Soret, I, Cavazza, C.
Deposit date:2017-03-01
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structural and functional studies of the metalloregulator Fur identify a promoter-binding mechanism and its role inFrancisella tularensisvirulence.
Commun Biol, 1, 2018

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PDB entries from 2024-09-11

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