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6VNZ
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BU of 6vnz by Molmil
NMR solution structure of tamapin, mutant K20A
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Mayorga Flores, M.
Deposit date:2020-01-29
Release date:2020-07-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells.
Acs Med.Chem.Lett., 11, 2020
6VPN
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BU of 6vpn by Molmil
Solution structure of antifungal plant defensin PvD1
Descriptor: Knot1 domain-containing protein
Authors:Harvey, P.J.
Deposit date:2020-02-03
Release date:2020-08-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Synthesis, Structure, and Activity of the Antifungal Plant DefensinPvD1.
J.Med.Chem., 63, 2020
8QPD
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BU of 8qpd by Molmil
Structure of thioredoxin m from pea
Descriptor: Thioredoxin M-type, chloroplastic
Authors:Neira, J.L, Camara Artigas, A.
Deposit date:2023-10-01
Release date:2024-02-14
Last modified:2024-03-27
Method:SOLUTION NMR
Cite:Three-dimensional solution structure, dynamics and binding of thioredoxin m from Pisum sativum.
Int.J.Biol.Macromol., 262, 2024
7LQW
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BU of 7lqw by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 2-17 Fab in complex with SARS-CoV-2 S2P spike
Descriptor: 2-17 Heavy Chain, 2-17 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L.
Deposit date:2021-02-15
Release date:2021-03-24
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (4.47 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
8EVS
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BU of 8evs by Molmil
Hypopseudouridylated yeast 80S bound with Taura syndrome virus (TSV) internal ribosome entry site (IRES), eEF2 and GDP, Structure II
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
Authors:Zhao, Y, Rai, J, Li, H.
Deposit date:2022-10-20
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Regulation of translation by ribosomal RNA pseudouridylation.
Sci Adv, 9, 2023
8E2O
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BU of 8e2o by Molmil
Leveraging the Structure of DNAJA1 to Discover Novel Pancreatic Cancer Therapies
Descriptor: Isoform 2 of DnaJ homolog subfamily A member 1
Authors:Roth, H.E, Powers, R.
Deposit date:2022-08-15
Release date:2022-11-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Leveraging the Structure of DNAJA1 to Discover Novel Potential Pancreatic Cancer Therapies.
Biomolecules, 12, 2022
6WQE
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BU of 6wqe by Molmil
Solution Structure of the IWP-051-bound H-NOX from Shewanella woodyi in the Fe(II)CO ligation state
Descriptor: 5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol, CARBON MONOXIDE, Heme NO binding domain protein, ...
Authors:Chen, C.Y, Lee, W, Montfort, W.R.
Deposit date:2020-04-28
Release date:2020-07-22
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structures of the Shewanella woodyi H-NOX protein in the presence and absence of soluble guanylyl cyclase stimulator IWP-051.
Protein Sci., 30, 2021
8RHS
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BU of 8rhs by Molmil
Structure of the ZnF domain from human Roquin-1
Descriptor: Roquin-1
Authors:Schlundt, A, Tants, J.N.
Deposit date:2023-12-16
Release date:2024-07-03
Last modified:2024-07-17
Method:SOLUTION NMR
Cite:Structure and RNA-binding of the helically extended Roquin CCCH-type zinc finger.
Nucleic Acids Res., 2024
8QWQ
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BU of 8qwq by Molmil
Magic-angle spinning NMR Structure of Opa60 in Lipid Bilayers
Descriptor: Opacity protein opA60 (Fragment)
Authors:Forster, M.C, Andreas, L.B.
Deposit date:2023-10-19
Release date:2024-07-24
Method:SOLID-STATE NMR
Cite:Magic-angle spinning NMR structure of Opa60 in lipid bilayers.
J Struct Biol X, 9, 2024
6WB8
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BU of 6wb8 by Molmil
Cryo-EM structure of PKD2 C331S disease variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2
Authors:Cao, E, Wang, J, Decaen, P.G.
Deposit date:2020-03-26
Release date:2020-04-22
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Molecular dysregulation of ciliary polycystin-2 channels caused by variants in the TOP domain.
Proc.Natl.Acad.Sci.USA, 117, 2020
4EL5
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BU of 4el5 by Molmil
Crystal structure of GPb in complex with DK12
Descriptor: 5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
Authors:Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2012-04-10
Release date:2012-07-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
4EJ2
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BU of 4ej2 by Molmil
Crystal structure of GPb in complex with DK10
Descriptor: 1-(beta-D-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
Authors:Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2012-04-06
Release date:2012-07-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
4EX5
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BU of 4ex5 by Molmil
Crystal structure of lysyl-tRNA synthetase LysRS from Burkholderia thailandensis bound to lysine
Descriptor: LYSINE, Lysine--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-04-29
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.
Sci Rep, 7, 2017
4DQZ
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BU of 4dqz by Molmil
Crystal Structure of C-terminal Half of Bacterial Hen1
Descriptor: Methyltransferase type 12
Authors:Huang, R.H, Wang, P.
Deposit date:2012-02-16
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Molecular basis of bacterial protein Hen1 activating the ligase activity of bacterial protein Pnkp for RNA repair.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DRF
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BU of 4drf by Molmil
Crystal Structure of Bacterial Pnkp-C/Hen1-N Heterodimer
Descriptor: GLYCEROL, Metallophosphoesterase, Methyltransferase type 12
Authors:Huang, R.H, Wang, P.
Deposit date:2012-02-17
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of bacterial protein Hen1 activating the ligase activity of bacterial protein Pnkp for RNA repair.
Proc.Natl.Acad.Sci.USA, 109, 2012
4CTA
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BU of 4cta by Molmil
Competence or damage-inducible protein CinA from Thermus thermophilus
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CINA-LIKE PROTEIN, GLYCEROL, ...
Authors:Derrick, J, Karuppiah, V.
Deposit date:2014-03-12
Release date:2014-10-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure and Mechanism of the Bifunctional Cina Enzyme from Thermus Thermophilus
J.Biol.Chem., 289, 2014
4EKE
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BU of 4eke by Molmil
Crystal structure of GPb in complex with DK11
Descriptor: 3-(beta-D-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3H)-one, Glycogen phosphorylase, muscle form
Authors:Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2012-04-09
Release date:2012-07-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
4EKY
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BU of 4eky by Molmil
Crystal structure of GPb in complex with DK15
Descriptor: 1-(beta-D-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
Authors:Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2012-04-10
Release date:2012-07-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
4EL0
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BU of 4el0 by Molmil
Crystal structure of GPb in complex with DK16
Descriptor: 3-(beta-D-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3H)-one, Glycogen phosphorylase, muscle form
Authors:Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2012-04-10
Release date:2012-07-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
2Y4V
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BU of 2y4v by Molmil
CRYSTAL STRUCTURE OF HUMAN CALMODULIN IN COMPLEX WITH A DAP KINASE-1 MUTANT (W305Y) PEPTIDE
Descriptor: CALCIUM ION, CALMODULIN, DEATH-ASSOCIATED PROTEIN KINASE 1,
Authors:de Diego, I, Lehmann, F, Wilmanns, M.
Deposit date:2011-01-11
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Journey Through the Dap Kinase Architecture
To be Published
2XNS
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BU of 2xns by Molmil
Crystal Structure Of Human G alpha i1 Bound To A Designed Helical Peptide Derived From The Goloco Motif Of RGS14
Descriptor: GUANINE NUCLEOTIDE-BINDING PROTEIN G(I) SUBUNIT ALPHA-1, GUANOSINE-5'-DIPHOSPHATE, REGULATOR OF G-PROTEIN SIGNALING 14, ...
Authors:Bosch, D, Sammond, D.W, Butterfoss, G.L, Machius, M, Siderovski, D.P, Kuhlman, B.
Deposit date:2010-08-05
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Computational Design of the Sequence and Structure of a Protein-Binding Peptide.
J.Am.Chem.Soc., 133, 2011
2XNE
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BU of 2xne by Molmil
Structure of Aurora-A bound to an imidazopyrazine inhibitor
Descriptor: 3-chloro-N-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine, SERINE/THREONINE-PROTEIN KINASE 6
Authors:Kosmopoulou, M, Bayliss, R.
Deposit date:2010-08-02
Release date:2010-09-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells.
Bioorg. Med. Chem. Lett., 20, 2010
2XUU
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BU of 2xuu by Molmil
Crystal structure of a DAP-kinase 1 mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DEATH-ASSOCIATED PROTEIN KINASE 1, MAGNESIUM ION, ...
Authors:de Diego, I, Kuper, J, Lehmann, F, Wilmanns, M.
Deposit date:2010-10-21
Release date:2011-11-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Pef/Y Substrate Recognition and Signature Motif Plays a Critical Role in Dapk-Related Kinase Activity.
Chem.Biol., 21, 2014
2Y3Q
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BU of 2y3q by Molmil
1.55A structure of apo bacterioferritin from E. coli
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, BACTERIOFERRITIN, ...
Authors:Hough, M.A, Antonyuk, S.V.
Deposit date:2010-12-22
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Monitoring and Validating Active Site Redox States in Protein Crystals.
Biochim.Biophys.Acta, 1814, 2011
2XRW
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BU of 2xrw by Molmil
Linear binding motifs for JNK and for calcineurin antagonistically control the nuclear shuttling of NFAT4
Descriptor: GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE 8, NUCLEAR FACTOR OF ACTIVATED T-CELLS, ...
Authors:Barkai, T, Toeoroe, I, Garai, A, Remenyi, A.
Deposit date:2010-09-23
Release date:2011-09-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove.
Sci. Signal, 5, 2012

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