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2N02
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BU of 2n02 by Molmil
Solution structure of the A147T variant of the mitochondrial translocator protein (tspo) in complex with pk11195
Descriptor: N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide, Translocator protein
Authors:Jaremko, M, Jaremko, L, Giller, K, Becker, S, Zweckstetter, M.
Deposit date:2015-03-04
Release date:2015-06-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Integrity of the A147T Polymorph of Mammalian TSPO.
Chembiochem, 16, 2015
2MY2
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BU of 2my2 by Molmil
Snu17p-Bud13p structure intermediate during RES complex assembly
Descriptor: Pre-mRNA-splicing factor CWC26, U2 snRNP component IST3
Authors:Wysoczanski, P, Becker, S, Zweckstetter, M.
Deposit date:2015-01-19
Release date:2015-08-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of intermediates during RES complex assembly.
Sci Rep, 5, 2015
2MY3
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BU of 2my3 by Molmil
Snu17p-Pml1p structure intermediate during RES complex assembly
Descriptor: Pre-mRNA leakage protein 1, U2 snRNP component IST3
Authors:Wysoczanski, P, Becker, S, Zweckstetter, M.
Deposit date:2015-01-19
Release date:2015-08-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of intermediates during RES complex assembly.
Sci Rep, 5, 2015
6QCU
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BU of 6qcu by Molmil
Crystal structure of a Fab portion of the anti EBOV 3T0331 antibody
Descriptor: Heavy chain, Light chain, SULFATE ION
Authors:Diskin, R, Cohen-Dvashi, H.
Deposit date:2018-12-31
Release date:2019-10-02
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:rVSV-ZEBOV induces a polyclonal and convergent B cell response with potent Ebola virus-neutralizing antibodies
Nat.Med. (N.Y.), 2019
6QD8
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BU of 6qd8 by Molmil
EM structure of a EBOV-GP bound to 4M0368 neutralizing antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Envelope glycoprotein,Virion spike glycoprotein,EBOV-GP1, ...
Authors:Diskin, R, Cohen-Dvashi, H.
Deposit date:2019-01-01
Release date:2019-10-02
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:rVSV-ZEBOV induces a polyclonal and convergent B cell response with potent Ebola virus-neutralizing antibodies
Nat.Med. (N.Y.), 2019
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:2023-06-14
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
6V5D
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BU of 6v5d by Molmil
EROS3 RDC and NOE Derived Ubiquitin Ensemble
Descriptor: Ubiquitin
Authors:Lange, O.F, Lakomek, N.A, Smith, C.A, Griesinger, C, de Groot, B.L.
Deposit date:2019-12-04
Release date:2020-01-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Enhancing NMR derived ensembles with kinetics on multiple timescales.
J.Biomol.Nmr, 74, 2020
7JZJ
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BU of 7jzj by Molmil
Crystal structure demonstrating CTD-CTD interactions of Zaire Ebola virus VP40 dimer
Descriptor: Matrix protein VP40, PENTAETHYLENE GLYCOL
Authors:Norris, M.J, Bornholdt, Z.A, Saphire, E.O.
Deposit date:2020-09-02
Release date:2020-10-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Ebola and Marburg virus matrix layers are locally ordered assemblies of VP40 dimers.
Elife, 9, 2020
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
4YXS
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BU of 4yxs by Molmil
CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24
Descriptor: N-BENZYL-9H-PURIN-6-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Schiffer, A, Wendt, K.U.
Deposit date:2015-03-23
Release date:2015-05-20
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4YXR
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BU of 4yxr by Molmil
CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor.
Descriptor: 3-methyl-2H-indazole, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Schiffer, A, Wendt, K.U.
Deposit date:2015-03-23
Release date:2015-05-27
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
6QD7
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BU of 6qd7 by Molmil
EM structure of a EBOV-GP bound to 3T0331 neutralizing antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Envelope glycoprotein,Virion spike glycoprotein,EBOV-GP1, ...
Authors:Diskin, R, Cohen-Dvashi, H.
Deposit date:2019-01-01
Release date:2019-10-02
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Polyclonal and convergent antibody response to Ebola virus vaccine rVSV-ZEBOV.
Nat. Med., 25, 2019
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
7NXZ
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BU of 7nxz by Molmil
Synthetic glycoform of Human Interleukin 6
Descriptor: Interleukin-6
Authors:Weyand, M, Unverzagt, C.
Deposit date:2021-03-19
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Natural Glycoforms of Human Interleukin 6 Show Atypical Plasma Clearance.
Angew.Chem.Int.Ed.Engl., 60, 2021
4ZG4
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BU of 4zg4 by Molmil
Myosin Vc Pre-powerstroke
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ropars, V, Pylypenko, O, Sweeney, L, Houdusse, A.
Deposit date:2015-04-22
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Force-producing ADP state of myosin bound to actin.
Proc.Natl.Acad.Sci.USA, 113, 2016
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
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
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
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
6Y2G
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BU of 6y2g by Molmil
Crystal structure (orthorhombic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
Descriptor: 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Authors:Zhang, L, Lin, D, Sun, X, Hilgenfeld, R.
Deposit date:2020-02-15
Release date:2020-03-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
6Y2F
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BU of 6y2f by Molmil
Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Authors:Zhang, L, Lin, D, Sun, X, Hilgenfeld, R.
Deposit date:2020-02-15
Release date:2020-03-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
6Y7M
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BU of 6y7m by Molmil
Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Authors:Zhang, L, Lin, D, Hilgenfeld, R.
Deposit date:2020-03-01
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
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
2LGC
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BU of 2lgc by Molmil
Joint NMR and X-ray refinement reveals the structure of a novel dibenzo[a,d]cycloheptenone inhibitor/p38 MAP kinase complex in solution
Descriptor: Mitogen-activated protein kinase 14
Authors:Habeck, M.
Deposit date:2011-07-25
Release date:2012-07-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Inferential NMR/X-ray-based structure determination of a dibenzo[a,d]cycloheptenone inhibitor-p38alpha MAP kinase complex in solution
Angew.Chem.Int.Ed.Engl., 51, 2012

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