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2KFH
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BU of 2kfh by Molmil
Structure of the C-terminal domain of EHD1 with FNYESTGPFTAK
Descriptor: CALCIUM ION, EH domain-containing protein 1, Rab11-FIP2 GPF peptide FNYESTGPFTAK
Authors:Kieken, F, Jovic, M, Tonelli, M, Naslavsky, N, Caplan, S, Sorgen, P.
Deposit date:2009-02-20
Release date:2009-12-22
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural insight into the interaction of proteins containing NPF, DPF, and GPF motifs with the C-terminal EH-domain of EHD1.
Protein Sci., 18, 2009
2KFF
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BU of 2kff by Molmil
Structure of the C-terminal domain of EHD1 with FNYESTNPFTAK
Descriptor: CALCIUM ION, EH domain-containing protein 1, Rab11-FIP2 NPF peptide FNYESTNPFTAK
Authors:Kieken, F, Jovic, M, Tonelli, M, Naslavsky, N, Caplan, S, Sorgen, P.
Deposit date:2009-02-20
Release date:2009-12-22
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural insight into the interaction of proteins containing NPF, DPF, and GPF motifs with the C-terminal EH-domain of EHD1.
Protein Sci., 18, 2009
2KYQ
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BU of 2kyq by Molmil
1H, 15N, 13C chemical shifts and structure of CKR-brazzein
Descriptor: Defensin-like protein
Authors:Dittli, S.M, Assadi-Porter, F.M, Rao, H, Tonelli, M.
Deposit date:2010-06-07
Release date:2011-05-18
Last modified:2011-11-30
Method:SOLUTION NMR
Cite:Structural role of the terminal disulfide bond in the sweetness of brazzein.
Chem Senses, 36, 2011
2L07
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BU of 2l07 by Molmil
1H, 13C, and 15N chemical shifts and structure of brazzein-derived peptide CKR-PNG
Descriptor: Defensin-like protein
Authors:Dittli, S.M, Assadi-Porter, F.M, Rao, H, Tonelli, M.
Deposit date:2010-06-30
Release date:2011-06-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural role of the terminal disulfide bond in the sweetness of brazzein.
Chem Senses, 36, 2011
2KGQ
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BU of 2kgq by Molmil
Refined solution structure of des-pyro Glu brazzein
Descriptor: Brazzein
Authors:Cornilescu, C.C, Tonelli, M, DeRider, M.L, Markley, J.L, Assadi-Porter, F.M, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2009-03-13
Release date:2009-06-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Refined solution structure of des-pyro Glu brazzein
To be Published
2KNH
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BU of 2knh by Molmil
The Solution structure of the eTAFH domain of AML1-ETO complexed with HEB peptide
Descriptor: Protein CBFA2T1, Transcription factor 12
Authors:Park, S, Cierpicki, T, Tonelli, M, Bushweller, J.H.
Deposit date:2009-08-25
Release date:2009-10-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the AML1-ETO eTAFH domain-HEB peptide complex and its contribution to AML1-ETO activity.
Blood, 113, 2009
2KMW
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BU of 2kmw by Molmil
Solution structure of At3g03773.1 protein from Arabidopsis thaliana
Descriptor: Uncharacterized protein At3g03773
Authors:Sahu, S.C, Singh, S, Tonelli, M, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2009-08-05
Release date:2009-10-06
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structure of At3g03773.1 protein from Arabidopsis thaliana
To be Published
2KQK
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BU of 2kqk by Molmil
Solution structure of apo-IscU(D39A)
Descriptor: NifU-like protein
Authors:Kim, J.H, Fuzery, A.K, Tonelli, M, Vickery, L.E, Markley, J.L.
Deposit date:2009-11-10
Release date:2010-11-17
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Three-Dimensional Structure and Determinants of Stability of the Iron-Sulfur Cluster Scaffold Protein IscU from Escherichia coli.
Biochemistry, 51, 2012
2KSI
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BU of 2ksi by Molmil
Solution NMR structure of Sterol Carrier Protein - 2 from Aedes aegypti (AeSCP-2) complex with C16 fatty acid (palmitate)
Descriptor: PALMITIC ACID, Sterol carrier protein 2
Authors:Singarapu, K, Radek, J.T, Tonelli, M, Lan, Q, Markley, J.L.
Deposit date:2010-01-04
Release date:2010-03-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure of Sterol Carrier Protein - 2 from Aedes aegypti (AeSCP-2) complex with C16 fatty acid (palmitate)
To be Published
2GM0
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BU of 2gm0 by Molmil
Linear dimer of stemloop SL1 from HIV-1
Descriptor: RNA (35-MER)
Authors:Ulyanov, N.B, Mujeeb, A, Du, Z, Tonelli, M, Parslow, T.G, James, T.L.
Deposit date:2006-04-05
Release date:2006-04-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR Structure of the Full-length Linear Dimer of Stem-Loop-1 RNA in the HIV-1 Dimer Initiation Site.
J.Biol.Chem., 281, 2006
2KSH
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BU of 2ksh by Molmil
Solution NMR structure of apo Sterol Carrier Protein - 2 from Aedes aegypti (AeSCP-2)
Descriptor: Sterol carrier protein 2
Authors:Singarapu, N, Radek, J.T, Tonelli, M, Lan, Q, Markley, J.L.
Deposit date:2010-01-04
Release date:2010-03-31
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of apo Sterol Carrier Protein - 2 from Aedes aegypti (AeSCP-2)
To be Published
2L94
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BU of 2l94 by Molmil
Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication
Descriptor: N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium, RNA_(45-MER)
Authors:Marcheschi, R.J, Tonelli, M, Kumar, A, Butcher, S.E.
Deposit date:2011-01-29
Release date:2011-06-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the HIV-1 Frameshift Site RNA Bound to a Small Molecule Inhibitor of Viral Replication.
Acs Chem.Biol., 6, 2011
2L4X
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BU of 2l4x by Molmil
Solution Structure of apo-IscU(WT)
Descriptor: Iron-sulfur cluster assembly scaffold protein
Authors:Kim, J.H, Tonelli, M, Markley, J.L.
Deposit date:2010-10-19
Release date:2011-12-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Three-Dimensional Structure and Determinants of Stability of the Iron-Sulfur Cluster Scaffold Protein IscU from Escherichia coli.
Biochemistry, 51, 2012
2LE4
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BU of 2le4 by Molmil
Solution structure of the HMG box DNA-binding domain of human stem cell transcription factor Sox2
Descriptor: Transcription factor SOX-2
Authors:Sahu, S.C, Markley, J.L, Tonelli, M, Bahrami, A, Eghbalnia, H.R, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2011-06-06
Release date:2011-07-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the HMG box DNA-binding domain of human stem cell transcription factor Sox2
To be Published
2L9Q
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BU of 2l9q by Molmil
Structural Characterization of small heat shock protein (Hsp12)
Descriptor: 12 kDa heat shock protein
Authors:Singarapu, K.K, Tonelli, M, Westler, W.M, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2011-02-22
Release date:2011-06-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Characterization of small heat shock protein (Hsp12)
To be Published
7THM
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BU of 7thm by Molmil
SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9
Descriptor: MANGANESE (II) ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Osinski, A, Tagliabracci, V.S, Chen, Z, Li, Y.
Deposit date:2022-01-11
Release date:2022-03-16
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:The mechanism of RNA capping by SARS-CoV-2.
Nature, 609, 2022
6VEO
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BU of 6veo by Molmil
ATAD2B bromodomain in complex with 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione (compound 38)
Descriptor: 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione, ATPase family AAA domain-containing protein 2B, SULFATE ION
Authors:Glass, K.C.
Deposit date:2020-01-02
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insights into the Recognition of Mono- and Diacetylated Histones by the ATAD2B Bromodomain.
J.Med.Chem., 63, 2020
2WC2
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BU of 2wc2 by Molmil
Nmr structure of catabolite activator protein in the unliganded state
Descriptor: CATABOLITE GENE ACTIVATOR
Authors:Popovych, N, Tzeng, S.R, Kalodimos, C.G.
Deposit date:2009-03-06
Release date:2009-04-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for Camp-Mediated Allosteric Control of the Catabolite Activator Protein.
Proc.Natl.Acad.Sci.USA, 106, 2009
8OF2
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BU of 8of2 by Molmil
Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tassone, G, Landi, G, Mangani, S, Pozzi, C.
Deposit date:2023-03-13
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents.
Eur.J.Med.Chem., 264, 2023
3IAW
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BU of 3iaw by Molmil
Crystal structure of a chemically synthesized 203 amino acid 'covalent dimer' [Gly51;Aib51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor at 1.6 A resolution
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [Gly51;Aib51'] 'covalent dimer' HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-07-14
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3KA2
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BU of 3ka2 by Molmil
Crystal structure of chemically synthesized 203 amino acid 'covalent dimer' [L-Ala;Gly51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor at 1.4 A resolution
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [L-Ala51;Gly51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-10-18
Release date:2011-04-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HLO
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BU of 3hlo by Molmil
Crystal structure of chemically synthesized 'covalent dimer' [Gly51/D-Ala51']HIV-1 protease
Descriptor: 'covalent dimer' [Gly51/D-Ala51'] HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-27
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
7M98
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BU of 7m98 by Molmil
ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) ligand
Descriptor: ATPase family AAA domain-containing protein 2, Histone H4
Authors:Malone, K.L, Phillips, M, Nix, J.C, Glass, K.C.
Deposit date:2021-03-30
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Coordination of Di-Acetylated Histone Ligands by the ATAD2 Bromodomain.
Int J Mol Sci, 22, 2021
7OPJ
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BU of 7opj by Molmil
Trypanosoma brucei PTR1 (TbPTR1) in complex with pyrimethamine
Descriptor: 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, ACETATE ION, GLYCEROL, ...
Authors:Tassone, G, Landi, G, Pozzi, C, Mangani, S.
Deposit date:2021-05-31
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Evidence of Pyrimethamine and Cycloguanil Analogues as Dual Inhibitors of Trypanosoma brucei Pteridine Reductase and Dihydrofolate Reductase.
Pharmaceuticals, 14, 2021
4IBG
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BU of 4ibg by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ...
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.413 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014

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数据于2024-07-17公开中

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