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8U3M
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BU of 8u3m by Molmil
The FARFAR-MD-NMR ensemble of an HIV-1 TAR excited state
Descriptor: The excited state of HIV-1 transactivation response element (31-MER)
Authors:Geng, A, Ganser, L, Roy, R, Shi, H, Pratihar, S, Case, D.A, Al-Hashimi, H.M.
Deposit date:2023-09-07
Release date:2023-10-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An RNA excited conformational state at atomic resolution.
Nat Commun, 14, 2023
8THV
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BU of 8thv by Molmil
FARFAR-NMR ensemble of HIV-1 TAR with apical loop capturing ground and excited conformational states
Descriptor: RNA (29-MER)
Authors:Roy, R, Geng, A, Shi, H, Merriman, D.K, Dethoff, E.A, Salmon, L, Al-Hashimi, H.M.
Deposit date:2023-07-18
Release date:2023-08-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Kinetic Resolution of the Atomic 3D Structures Formed by Ground and Excited Conformational States in an RNA Dynamic Ensemble.
J.Am.Chem.Soc., 145, 2023
5UZI
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BU of 5uzi by Molmil
Insights into Watson-Crick/Hoogsteen Breathing Dynamics and Damage Repair from the Solution Structure and Dynamic Ensemble of DNA Duplexes containing m1A - A6-DNAm1A16 structure
Descriptor: DNA (5'-D(*CP*GP*AP*TP*TP*TP*TP*TP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*(M1A)P*AP*AP*AP*AP*AP*TP*CP*G)-3')
Authors:Sathyamoorthy, B, Shi, H, Xue, Y, Al-Hashimi, H.M.
Deposit date:2017-02-26
Release date:2017-04-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Insights into Watson-Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A.
Nucleic Acids Res., 45, 2017
5UZF
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BU of 5uzf by Molmil
Insights into Watson-Crick/Hoogsteen Breathing Dynamics and Damage Repair from the Solution Structure and Dynamic Ensemble of DNA Duplexes containing m1A - A6-DNA structure
Descriptor: DNA (5'-D(*CP*GP*AP*TP*TP*TP*TP*TP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*AP*AP*AP*AP*AP*TP*CP*G)-3')
Authors:Sathyamoorthy, B, Shi, H, Xue, Y, Al-Hashimi, H.M.
Deposit date:2017-02-26
Release date:2017-04-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Insights into Watson-Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A.
Nucleic Acids Res., 45, 2017
5UZD
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BU of 5uzd by Molmil
Insights into Watson-Crick/Hoogsteen Breathing Dynamics and Damage Repair from the Solution Structure and Dynamic Ensemble of DNA Duplexes containing m1A - A2-DNA structure
Descriptor: DNA (5'-D(*GP*CP*AP*TP*CP*GP*AP*TP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*AP*TP*CP*GP*AP*TP*GP*C)-3')
Authors:Sathyamoorthy, B, Shi, H, Xue, Y, Al-Hashimi, H.M.
Deposit date:2017-02-26
Release date:2017-04-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Insights into Watson-Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A.
Nucleic Acids Res., 45, 2017
7JU1
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BU of 7ju1 by Molmil
The FARFAR-NMR Ensemble of 29-mer HIV-1 Trans-activation Response Element RNA (N=20)
Descriptor: RNA (29-MER)
Authors:Shi, H, Rangadurai, A, Roy, R, Yesselman, J.D, Al-Hashimi, H.M.
Deposit date:2020-08-18
Release date:2020-10-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rapid and accurate determination of atomistic RNA dynamic ensemble models using NMR and structure prediction
Nat Commun, 11, 2020
1FH1
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BU of 1fh1 by Molmil
BACKBONE FOLD OF NODF
Descriptor: NODULATION PROTEIN F
Authors:Fowler, C.A, Tian, F, Al-Hashimi, H.M, Prestegard, J.H.
Deposit date:2000-07-30
Release date:2001-01-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Rapid determination of protein folds using residual dipolar couplings.
J.Mol.Biol., 304, 2000
6UEP
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BU of 6uep by Molmil
Structure of A. thaliana TBP bound to a DNA site with a C-C mismatch
Descriptor: DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*CP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*CP*TP*TP*TP*AP*TP*AP*GP*C)-3'), FORMIC ACID, ...
Authors:Schumacher, M.A, Al-hashimi, H.
Deposit date:2019-09-22
Release date:2020-09-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:DNA mismatches reveal conformational penalties in protein-DNA recognition.
Nature, 587, 2020
6UER
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BU of 6uer by Molmil
Crystal form 2: Structure of TBP bound to C-C mismatch at pH 7
Descriptor: DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*CP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*CP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TATA-box-binding protein 1
Authors:Schumacher, M.A, Al-Hashimi, H.
Deposit date:2019-09-22
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:DNA mismatches reveal conformational penalties in protein-DNA recognition.
Nature, 587, 2020
6UEQ
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BU of 6ueq by Molmil
Structure of TBP bound to C-C mismatch containing TATA site
Descriptor: DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*AP*CP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*C)-3'), SULFATE ION, ...
Authors:Schumacher, M.A, Al-Hashimi, H.
Deposit date:2019-09-22
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:DNA mismatches reveal conformational penalties in protein-DNA recognition.
Nature, 587, 2020
6NJQ
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BU of 6njq by Molmil
Structure of TBP-Hoogsteen containing DNA complex
Descriptor: DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*CP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*GP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TATA-box-binding protein 1
Authors:Schumacher, M.A, Stelling, A.
Deposit date:2019-01-04
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Infrared Spectroscopic Observation of a G-C+Hoogsteen Base Pair in the DNA:TATA-Box Binding Protein Complex Under Solution Conditions.
Angew.Chem.Int.Ed.Engl., 58, 2019
6E4N
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BU of 6e4n by Molmil
Structure of the T. brucei TbRGG2 RRM domain: apo R3 crystal form
Descriptor: RNA-binding protein, putative
Authors:Schumacher, M.A.
Deposit date:2018-07-18
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:The RRM of the kRNA-editing protein TbRGG2 uses multiple surfaces to bind and remodel RNA.
Nucleic Acids Res., 47, 2019
6E4O
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BU of 6e4o by Molmil
Structure of apo T. brucei RRM: P4(1)2(1)2 form
Descriptor: RNA-binding protein, putative
Authors:Schumacher, M.A.
Deposit date:2018-07-18
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The RRM of the kRNA-editing protein TbRGG2 uses multiple surfaces to bind and remodel RNA.
Nucleic Acids Res., 47, 2019
6E4P
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BU of 6e4p by Molmil
Structure of the T. brucei RRM domain in complex with RNA
Descriptor: RNA (5'-R(P*UP*UP*UP*U)-3'), RNA-binding protein, putative
Authors:Schumacher, M.A.
Deposit date:2018-07-18
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:The RRM of the kRNA-editing protein TbRGG2 uses multiple surfaces to bind and remodel RNA.
Nucleic Acids Res., 47, 2019
6M81
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BU of 6m81 by Molmil
Crystal structure of TylM1 Y14F bound to SAH and dTDP-phenol
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, S-ADENOSYL-L-HOMOCYSTEINE, dTDP-3-amino-3,6-dideoxy-alpha-D-glucopyranose N,N-dimethyltransferase
Authors:Fick, R.J, McDole, B.G, Trievel, R.C.
Deposit date:2018-08-21
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:Structural and Functional Characterization of Sulfonium Carbon-Oxygen Hydrogen Bonding in the Deoxyamino Sugar Methyltransferase TylM1.
Biochemistry, 58, 2019
6M83
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BU of 6m83 by Molmil
Crystal structure of TylM1 S120A bound to SAH and dTDP-phenol
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Fick, R.J, McDole, B.G, Trievel, R.C.
Deposit date:2018-08-21
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.3685 Å)
Cite:Structural and Functional Characterization of Sulfonium Carbon-Oxygen Hydrogen Bonding in the Deoxyamino Sugar Methyltransferase TylM1.
Biochemistry, 58, 2019
6M82
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BU of 6m82 by Molmil
Crystal structure of TylM1 Y14paF bound to SAH and dTDP-phenol
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Fick, R.J, McDole, B.G, Trievel, R.C.
Deposit date:2018-08-21
Release date:2019-03-13
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.3971 Å)
Cite:Structural and Functional Characterization of Sulfonium Carbon-Oxygen Hydrogen Bonding in the Deoxyamino Sugar Methyltransferase TylM1.
Biochemistry, 58, 2019
4PIK
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BU of 4pik by Molmil
Crystal Structure of Banana Lectin bound to dimannose
Descriptor: GLYCEROL, Ripening-associated protein, alpha-D-mannopyranose, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2014-05-08
Release date:2015-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
4PIT
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BU of 4pit by Molmil
Crystal Structure of Banana Lectin H84T bound to dimannose
Descriptor: GLYCEROL, Ripening-associated protein, alpha-D-mannopyranose, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2014-05-09
Release date:2015-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
4PIF
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BU of 4pif by Molmil
Crystal Structure of recombinant WT Banana Lectin
Descriptor: GLYCEROL, Ripening-associated protein
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2014-05-08
Release date:2015-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
4PIU
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BU of 4piu by Molmil
CRYSTAL STRUCTURE OF BANANA LECTIN H84T MUTANT
Descriptor: GLYCEROL, Ripening-associated protein, SODIUM ION
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2014-05-09
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
4J8O
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BU of 4j8o by Molmil
SET7/9 in complex with TAF10K189A peptide and AdoHcy
Descriptor: Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, Transcription initiation factor TFIID subunit 10
Authors:Horowitz, S, Trievel, R.C.
Deposit date:2013-02-14
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Conservation and functional importance of carbon-oxygen hydrogen bonding in AdoMet-dependent methyltransferases.
J.Am.Chem.Soc., 135, 2013
4J7I
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BU of 4j7i by Molmil
SET7/9Y335F in complex with TAF10 peptide and AdoHcy
Descriptor: Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, Transcription initiation factor TFIID subunit 10
Authors:Horowitz, S, Trievel, R.C.
Deposit date:2013-02-13
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Conservation and functional importance of carbon-oxygen hydrogen bonding in AdoMet-dependent methyltransferases.
J.Am.Chem.Soc., 135, 2013
4J83
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BU of 4j83 by Molmil
SET7/9 in complex with TAF10K189A peptide and AdoMet
Descriptor: Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, Transcription initiation factor TFIID subunit 10
Authors:Horowitz, S, Nimtz, J.S, Trievel, R.C.
Deposit date:2013-02-14
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conservation and functional importance of carbon-oxygen hydrogen bonding in AdoMet-dependent methyltransferases.
J.Am.Chem.Soc., 135, 2013
4J7F
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BU of 4j7f by Molmil
SET7/9Y335pAF in complex with TAF10 peptide and AdoHcy
Descriptor: Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, Transcription initiation factor TFIID subunit 10
Authors:Horowitz, S, Del Rizzo, P.A, Trievel, R.C.
Deposit date:2013-02-13
Release date:2014-03-26
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Methyl CH O Hydrogen Bonds Orchestrate AdoMet-Dependent Methylation
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PDB entries from 2024-08-07

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