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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
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
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
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
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
2LY5
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BU of 2ly5 by Molmil
Refined solution structure of recombinant brazzein
Descriptor: Defensin-like protein
Authors:Cornilescu, C.C, Cornilescu, G, Tonelli, M, Markley, J.L, Assadi-Porter, F.M.
Deposit date:2012-09-12
Release date:2013-01-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Temperature-dependent conformational change affecting Tyr11 and sweetness loops of brazzein.
Proteins, 81, 2013
2M5T
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BU of 2m5t by Molmil
Solution structure of the 2A proteinase from a common cold agent, human rhinovirus RV-C02, strain W12
Descriptor: ZINC ION, human rhinovirus 2A proteinase
Authors:Lee, W, Frederick, R, Tonelli, M, Troupis, A.T, Reinin, N, Suchy, F.P, Moyer, K, Watters, K, Aceti, D, Palmenberg, A.C, Markley, J.L.
Deposit date:2013-03-07
Release date:2014-03-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of the 2A Protease from a Common Cold Agent, Human Rhinovirus C2, Strain W12.
Plos One, 9, 2014
2LY6
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BU of 2ly6 by Molmil
Refined solution structure of recombinant brazzein at low temperature
Descriptor: Defensin-like protein
Authors:Cornilescu, C.C, Cornilescu, G, Tonelli, M, Markley, J.L, Assadi-Porter, F.M.
Deposit date:2012-09-12
Release date:2012-10-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Temperature-dependent conformational change affecting Tyr11 and sweetness loops of brazzein.
Proteins, 81, 2013
2N69
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BU of 2n69 by Molmil
NMR structure of non-sweet mutant (ins18RI19) of sweet protein Brazzein
Descriptor: Defensin-like protein
Authors:Singarapu, K.K, Tonelli, M, Markley, J.L, Assadi-Porter, F.
Deposit date:2015-08-14
Release date:2016-08-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR Structure of sweeter mutant of sweet protein Brazzein
To be Published
2N66
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BU of 2n66 by Molmil
NMR Structure of sweeter mutant (D40K) of sweet protein Brazzein,
Descriptor: Defensin-like protein
Authors:Singarapu, K.K, Tonelli, M, Markley, J.L, Assadi-Porter, F.
Deposit date:2015-08-13
Release date:2016-08-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR Structure of sweeter mutant of sweet protein Brazzein
To be Published
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
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
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
3NWQ
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BU of 3nwq by Molmil
X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with MVT-101
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-10
Release date:2011-11-02
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3NXE
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BU of 3nxe by Molmil
X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with MVT-101 inhibitor
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, protease covalent dimer
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-13
Release date:2011-11-02
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
3O7L
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BU of 3o7l by Molmil
Crystal Structure of phospholamban (1-19):PKA C-subunit:AMP-PNP:Mg2+ complex
Descriptor: Cardiac phospholamban, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Cheng, C.Y, Taylor, S.S.
Deposit date:2010-07-30
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dynamics connect substrate recognition to catalysis in protein kinase A.
Nat.Chem.Biol., 6, 2010
3NXN
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BU of 3nxn by Molmil
X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor
Descriptor: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease covalent dimer
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-14
Release date:2011-11-02
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011

219869

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