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4WX7
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BU of 4wx7 by Molmil
Crystal structure of adenovirus 8 protease with a nitrile inhibitor
Descriptor: 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease
Authors:Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
Deposit date:2014-11-13
Release date:2015-01-14
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
4WX6
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BU of 4wx6 by Molmil
Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor
Descriptor: N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease
Authors:Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
Deposit date:2014-11-13
Release date:2015-01-14
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
4WX4
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BU of 4wx4 by Molmil
Crystal structure of adenovirus 8 protease in complex with a nitrile inhibitor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCINE, N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide, ...
Authors:Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
Deposit date:2014-11-13
Release date:2015-01-14
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
2UZ5
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BU of 2uz5 by Molmil
Solution structure of the fkbp-domain of Legionella pneumophila Mip
Descriptor: MACROPHAGE INFECTIVITY POTENTIATOR
Authors:Ceymann, A, Horstmann, M, Ehses, P, Schweimer, K, Steinert, M, Kamphausen, T, Fischer, G, Hacker, J, Rosch, P, Faber, C.
Deposit date:2007-04-25
Release date:2007-06-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Domain Motions of the Mip Protein from Legionella Pneumophila
Biochemistry, 45, 2006
3H7H
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BU of 3h7h by Molmil
Crystal structure of the human transcription elongation factor DSIF, hSpt4/hSpt5 (176-273)
Descriptor: BETA-MERCAPTOETHANOL, Transcription elongation factor SPT4, Transcription elongation factor SPT5, ...
Authors:Wenzel, S, Wohrl, B.M, Rosch, P, Martins, B.M.
Deposit date:2009-04-27
Release date:2009-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the human transcription elongation factor DSIF hSpt4 subunit in complex with the hSpt5 dimerization interface
Biochem.J., 425, 2010
2BZ2
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BU of 2bz2 by Molmil
Solution structure of NELF E RRM
Descriptor: NEGATIVE ELONGATION FACTOR E
Authors:Schweimer, K, Rao, J.N, Neumann, L, Rosch, P, Wohrl, B.M.
Deposit date:2005-08-10
Release date:2006-08-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural studies on the RNA-recognition motif of NELF E, a cellular negative transcription elongation factor involved in the regulation of HIV transcription.
Biochem. J., 400, 2006
1VPU
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BU of 1vpu by Molmil
NMR SOLUTION STRUCTURE OF THE HIV-1 VPU CYTOPLASMIC DOMAIN, 9 STRUCTURES
Descriptor: VPU PROTEIN
Authors:Willbold, D, Hoffmann, S, Rosch, P.
Deposit date:1997-01-28
Release date:1997-05-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Secondary structure and tertiary fold of the human immunodeficiency virus protein U (Vpu) cytoplasmic domain in solution.
Eur.J.Biochem., 245, 1997
4PIS
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BU of 4pis by Molmil
Crystal structure of human adenovirus 8 protease in complex with a nitrile inhibitor
Descriptor: N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide, PVI, Protease
Authors:Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E.
Deposit date:2014-05-09
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
4PID
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BU of 4pid by Molmil
Crystal structure of human adenovirus 2 protease with a weak pyrimidine nitrile inhibitor
Descriptor: ACETATE ION, N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide, Pre-protein VI, ...
Authors:Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E.
Deposit date:2014-05-08
Release date:2014-09-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
4PIQ
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BU of 4piq by Molmil
Crystal structure of human adenovirus 8 protease with a nitrile inhibitor
Descriptor: N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide, PVI, Protease
Authors:Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E.
Deposit date:2014-05-09
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
4PIE
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BU of 4pie by Molmil
Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor
Descriptor: ACETATE ION, N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide, Pre-protein VI, ...
Authors:Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, C, Erbel, C, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E.
Deposit date:2014-05-08
Release date:2014-09-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
6ER0
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BU of 6er0 by Molmil
6th KOW domain of human hSpt5
Descriptor: Transcription elongation factor SPT5
Authors:Hahn, L, Schweimer, K, Roesch, P, Woehrl, B.M.
Deposit date:2017-10-16
Release date:2018-10-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and nucleic acid binding properties of KOW domains 4 and 6-7 of human transcription elongation factor DSIF.
Sci Rep, 8, 2018
1HPY
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BU of 1hpy by Molmil
THE SOLUTION STRUCTURE OF HUMAN PARATHYROID HORMONE FRAGMENT 1-34 IN 20% TRIFLUORETHANOL, NMR, 10 STRUCTURES
Descriptor: PARATHYROID HORMONE
Authors:Marx, U.C, Roesch, P, Adermann, K, Bayer, P, Forssmann, W.-G.
Deposit date:1998-09-30
Release date:2000-01-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structures of human parathyroid hormone fragments hPTH(1-34) and hPTH(1-39) and bovine parathyroid hormone fragment bPTH(1-37).
Biochem.Biophys.Res.Commun., 267, 2000
8CCZ
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BU of 8ccz by Molmil
Crystal structure of human Sirt3 in complex with an inhibiting HIV1 Tat-37-59 peptide
Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ...
Authors:Adolph, R.S, Steegborn, C.
Deposit date:2023-01-28
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein.
Life, 13, 2023
8CCW
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BU of 8ccw by Molmil
Crystal structure of human Sirt3 in complex with an acetylated HIV1 Tat-46-54 substrate peptide
Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ...
Authors:Adolph, R.S, Steegborn, C.
Deposit date:2023-01-27
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein.
Life, 13, 2023
6R3C
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BU of 6r3c by Molmil
Solution structure of birch pollen allergen Bet v 1a
Descriptor: Major pollen allergen Bet v 1-A
Authors:Schweimer, K.
Deposit date:2019-03-20
Release date:2019-07-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Identification of a natural ligand of the hazel allergen Cor a 1.
Sci Rep, 9, 2019
3IMQ
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BU of 3imq by Molmil
Crystal structure of the NusB101-S10(delta loop) complex
Descriptor: 30S ribosomal protein S10, N utilization substance protein B, POTASSIUM ION
Authors:Luo, X, Wahl, M.C.
Deposit date:2009-08-11
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fine tuning of the E. coli NusB:NusE complex affinity to BoxA RNA is required for processive antitermination.
Nucleic Acids Res., 38, 2010
1H7V
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BU of 1h7v by Molmil
Rubredoxin from Guillardia Theta
Descriptor: RUBREDOXIN, ZINC ION
Authors:Schweimer, K, Hoffmann, S, Wastl, J, Maier, U.G, Roesch, P, Sticht, H.
Deposit date:2001-01-16
Release date:2002-01-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of a zinc substituted eukaryotic rubredoxin from the cryptomonad alga Guillardia theta.
Protein Sci., 9, 2000
5OND
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BU of 5ond by Molmil
RfaH from Escherichia coli in complex with ops DNA
Descriptor: DNA (5'-D(*GP*CP*GP*GP*TP*AP*GP*TP*C)-3'), Transcription antitermination protein RfaH
Authors:Zuber, P.K, Artsimovitch, I, Roesch, P, Knauer, S.H.
Deposit date:2017-08-03
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The universally-conserved transcription factor RfaH is recruited to a hairpin structure of the non-template DNA strand.
Elife, 7, 2018
6EQY
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BU of 6eqy by Molmil
4th KOW domain of human hSpt5
Descriptor: Transcription elongation factor SPT5
Authors:Zuber, P.K, Schweimer, K, Roesch, P, Woehrl, B.M.
Deposit date:2017-10-16
Release date:2018-10-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and nucleic acid binding properties of KOW domains 4 and 6-7 of human transcription elongation factor DSIF.
Sci Rep, 8, 2018
1P23
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BU of 1p23 by Molmil
STRUCTURE OF THE DIMERIZED CYTOPLASMIC DOMAIN OF P23 IN SOLUTION, NMR, 10 STRUCTURES
Descriptor: TRANSMEMBRANE PROTEIN TMP21 PRECURSOR
Authors:Weidler, M, Reinhard, C, Wieland, F.T, Roesch, P.
Deposit date:1998-11-17
Release date:2000-06-07
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structure of the cytoplasmic domain of p23 in solution: implications for the formation of COPI vesicles.
Biochem.Biophys.Res.Commun., 271, 2000
1QD3
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BU of 1qd3 by Molmil
HIV-1 TAR RNA/NEOMYCIN B COMPLEX
Descriptor: 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose, 2,6-diamino-2,6-dideoxy-beta-L-idopyranose-(1-3)-alpha-D-ribofuranose, 2-DEOXYSTREPTAMINE, ...
Authors:Faber, C, Sticht, H, Roesch, P.
Deposit date:1999-07-07
Release date:2000-07-12
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structural rearrangements of HIV-1 Tat-responsive RNA upon binding of neomycin B.
J.Biol.Chem., 275, 2000
6GQ9
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BU of 6gq9 by Molmil
Solution structure of the hazel allergen Cor a 1.0401
Descriptor: Major allergen Cor a 1.0401
Authors:Jacob, T.P, Schweimer, K, Seutter von Loetzen, C, Woehrl, B.M.
Deposit date:2018-06-07
Release date:2019-06-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Identification of a natural ligand of the hazel allergen Cor a 1.
Sci Rep, 9, 2019
1BWX
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BU of 1bwx by Molmil
THE SOLUTION STRUCTURE OF HUMAN PARATHYROID HORMONE FRAGMENT 1-39, NMR, 10 STRUCTURES
Descriptor: PARATHYROID HORMONE
Authors:Marx, U.C, Roesch, P, Adermann, K, Bayer, P, Forssmann, W.-G.
Deposit date:1998-09-29
Release date:2000-01-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structures of human parathyroid hormone fragments hPTH(1-34) and hPTH(1-39) and bovine parathyroid hormone fragment bPTH(1-37).
Biochem.Biophys.Res.Commun., 267, 2000
1C6S
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BU of 1c6s by Molmil
THE SOLUTION STRUCTURE OF CYTOCHROME C6 FROM THE THERMOPHILIC CYANOBACTERIUM SYNECHOCOCCUS ELONGATUS, NMR, 20 STRUCTURES
Descriptor: CYTOCHROME C6, HEME C
Authors:Roesch, P, Beissinger, M, Sticht, H, Sutter, M, Ejchart, A, Haehnel, W.
Deposit date:1997-03-31
Release date:1998-04-08
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of cytochrome c6 from the thermophilic cyanobacterium Synechococcus elongatus.
EMBO J., 17, 1998

 

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