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7JZT
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BU of 7jzt by Molmil
Low resolution crystal structure of Zaire Ebola virus VP40 in space group P6422
Descriptor: Matrix protein VP40
Authors:Norris, M.J, Bornholdt, Z.A, Saphire, E.O.
Deposit date:2020-09-02
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:Ebola and Marburg virus matrix layers are locally ordered assemblies of VP40 dimers.
Elife, 9, 2020
3IIV
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BU of 3iiv by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE7 KE7_R7_1/3H, MAGNESIUM ION
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
3IIO
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BU of 3iio by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE07
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
3JYM
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BU of 3jym by Molmil
Crystal Structure of the 3 FKBP domains of wheat FKBP73
Descriptor: FK506-binding protein (FKBP) from wheat
Authors:Dym, O, Breiman, A, Israel Structural Proteomics Center (ISPC)
Deposit date:2009-09-22
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of the three FK506 binding protein domains of wheat FKBP73: evidence for a unique wFK73_2 domain
J.STRUCT.FUNCT.GENOM., 11, 2010
3JXV
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BU of 3jxv by Molmil
Crystal Structure of the 3 FKBP domains of wheat FKBP73
Descriptor: 70 kDa peptidyl-prolyl isomerase
Authors:Dym, O, Breiman, A, Israel Structural Proteomics Center (ISPC)
Deposit date:2009-09-21
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of the three FK506 binding protein domains of wheat FKBP73: evidence for a unique wFK73_2 domain.
J Struct Funct Genomics, 11, 2010
3IIP
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BU of 3iip by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE7 R6 3/7F, POLYETHYLENE GLYCOL (N=34)
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
6H4G
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BU of 6h4g by Molmil
Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma brucei: E311A, T318R, V319A mutant bound to cAMP in the A site
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, INOSINE, Protein kinase A regulatory subunit
Authors:Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M.
Deposit date:2018-07-21
Release date:2019-08-14
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.143517 Å)
Cite:Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens.
Elife, 12, 2024
6HYI
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BU of 6hyi by Molmil
Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.4 A resolution in complex with inosine
Descriptor: INOSINE, Protein kinase A regulatory subunit
Authors:Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M.
Deposit date:2018-10-22
Release date:2019-11-13
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.39944851 Å)
Cite:Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens.
Elife, 12, 2024
5NBI
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BU of 5nbi by Molmil
Principles for computational design of antibodies
Descriptor: Design of antibodies
Authors:Dym, O, Fleishman, S.J.
Deposit date:2017-03-02
Release date:2017-09-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Principles for computational design of binding antibodies.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7QI2
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BU of 7qi2 by Molmil
Magic-angle spinning NMR structure of the human voltage-dependent anion channel 1 (E73V/C127A/C232S) in DMPC lipid bilayers
Descriptor: Voltage-dependent anion-selective channel protein 1
Authors:Najbauer, E.E, Andreas, L.B.
Deposit date:2021-12-14
Release date:2022-03-16
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Structure and Gating Behavior of the Human Integral Membrane Protein VDAC1 in a Lipid Bilayer.
J.Am.Chem.Soc., 144, 2022
1H2C
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BU of 1h2c by Molmil
Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (High-resolution VP40[55-194] variant).
Descriptor: 5'-R(*UP*GP*AP)-3', MATRIX PROTEIN VP40
Authors:Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W.
Deposit date:2002-08-05
Release date:2003-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties
Structure, 11, 2003
6FS3
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BU of 6fs3 by Molmil
Phosphotriesterase PTE_A53_1
Descriptor: (2~{S})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-02-19
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of Bacterail Phosphotriesterase variant with high catalytic activity towards organophosphate nerve agents developed by use of structure-based design and molecular evolution
To Be Published
1H2D
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BU of 1h2d by Molmil
Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (Low-resolution VP40[31-212] variant).
Descriptor: 5'-R(*UP*GP*AP)-3', CHLORIDE ION, MATRIX PROTEIN VP40
Authors:Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W.
Deposit date:2002-08-06
Release date:2003-04-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties
Structure, 11, 2003
5NB5
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BU of 5nb5 by Molmil
Principles for computational design of antibodies
Descriptor: design of antibodies
Authors:Dym, O, Fleishman, S.J.
Deposit date:2017-03-01
Release date:2017-09-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Principles for computational design of binding antibodies.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6Y2E
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BU of 6y2e by Molmil
Crystal structure of the free enzyme of the SARS-CoV-2 (2019-nCoV) main protease
Descriptor: 3C-like proteinase
Authors:Zhang, L, Sun, X, Hilgenfeld, R.
Deposit date:2020-02-15
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
6YBH
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BU of 6ybh by Molmil
Deoxyribonucleoside Kinase
Descriptor: Deoxynucleoside kinase, GLYCEROL, Pyrrolo-dC, ...
Authors:Allouche-Arnon, H, Bar-Shir, A, Dym, O.
Deposit date:2020-03-17
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computationally designed dual-color MRI reporters for noninvasive imaging of transgene expression.
Nat.Biotechnol., 40, 2022
6R99
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BU of 6r99 by Molmil
Crystal Structure of Human CLN protein 5 (Ceroid Lipofuscinosis Neuronal Protein 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, Ceroid-lipofuscinosis neuronal protein 5, ...
Authors:Luebben, A.V, Sheldrick, G.M.
Deposit date:2019-04-03
Release date:2020-04-22
Last modified:2022-09-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cln5 represents a new type of cysteine-based S -depalmitoylase linked to neurodegeneration.
Sci Adv, 8, 2022
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
8A6M
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BU of 8a6m by Molmil
Phosphatidylserine-dependent synaptic vesicle membrane sculpting by synaptogyrin
Descriptor: Isoform 1B of Synaptogyrin-1
Authors:Yu, T.K, Eastep, G.N, Flores, D, Zweckstetter, M.
Deposit date:2022-06-18
Release date:2023-05-24
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Phosphatidylserine-dependent structure of synaptogyrin remodels the synaptic vesicle membrane.
Nat.Struct.Mol.Biol., 30, 2023
4GEJ
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BU of 4gej by Molmil
N-terminal domain of VDUP-1
Descriptor: CALCIUM ION, Thioredoxin-interacting protein
Authors:Polekhina, G, Kok, S.F, Ascher, D.B, Waltham, M.
Deposit date:2012-08-02
Release date:2013-02-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the N-terminal domain of human thioredoxin-interacting protein.
Acta Crystallogr.,Sect.D, 69, 2013
4GEI
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BU of 4gei by Molmil
N-terminal domain of VDUP-1
Descriptor: Thioredoxin-interacting protein
Authors:Polekhina, G, Kok, S.F, Ascher, D.B, Waltham, M.
Deposit date:2012-08-02
Release date:2013-02-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the N-terminal domain of human thioredoxin-interacting protein.
Acta Crystallogr.,Sect.D, 69, 2013
6FLO
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BU of 6flo by Molmil
Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma brucei at 2.1 Angstrom resolution
Descriptor: GLYCEROL, INOSINE, Protein kinase A regulatory subunit
Authors:Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M.
Deposit date:2018-01-26
Release date:2019-08-14
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.13868666 Å)
Cite:Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens.
Elife, 12, 2024
2LNY
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BU of 2lny by Molmil
ShB peptide structure bound to negatively charged lipid-bilayer after Molecular Dynamics refinement
Descriptor: ShB peptide
Authors:Weingarth, M.
Deposit date:2012-01-06
Release date:2012-08-08
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Supramolecular structure of membrane-associated polypeptides by combining solid-state NMR and molecular dynamics simulations.
Biophys.J., 103, 2012
2B5R
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BU of 2b5r by Molmil
1B Lactamase / B Lactamase Inhibitor
Descriptor: Beta-lactamase TEM, Beta-lactamase inhibitory protein
Authors:Rahat, O, Albeck, S, Meged, R, Dym, O, Screiber, G, Israel Structural Proteomics Center (ISPC)
Deposit date:2005-09-29
Release date:2006-04-11
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Binding Hot Spots in the TEM1-BLIP Interface in Light of its Modular Architecture.
J.Mol.Biol., 102, 2006
1P9Y
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BU of 1p9y by Molmil
Ribosome binding of E. coli Trigger Factor mutant F44L.
Descriptor: ACETIC ACID, Trigger factor
Authors:Kristensen, O, Gajhede, M.
Deposit date:2003-05-13
Release date:2003-12-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Chaperone binding at the ribosomal exit tunnel.
Structure, 11, 2003

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