6DKL
 
 | | Crystal Structure of a Rationally Designed Six-Fold Symmetric DNA Scaffold | | Descriptor: | DNA (5'-D(P*CP*AP*CP*AP*CP*CP*GP*TP*AP*C)-3'), DNA (5'-D(P*GP*GP*AP*TP*GP*CP*AP*CP*A)-3'), DNA (5'-D(P*GP*TP*AP*CP*GP*GP*AP*TP*CP*CP*AP*G)-3'), ... | | Authors: | Simmons, C.R, Zhang, F, Yan, H. | | Deposit date: | 2018-05-29 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.034 Å) | | Cite: | Self-Assembly of a 3D DNA Crystal Structure with Rationally Designed Six-Fold Symmetry.
Angew. Chem. Int. Ed. Engl., 57, 2018
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2B5H
 | | 1.5 A Resolution Crystal Structure of Recombinant R. Norvegicus Cysteine Dioxygenase | | Descriptor: | Cysteine dioxygenase type I, FE (III) ION | | Authors: | Simmons, C.R, Liu, Q, Huang, Q, Hao, Q, Begley, T.P, Karplus, P.A, Stipanuk, M.H. | | Deposit date: | 2005-09-28 | | Release date: | 2006-04-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Mammalian Cysteine Dioxygenase: A NOVEL MONONUCLEAR IRON CENTER FOR CYSTEINE THIOL OXIDATION.
J.Biol.Chem., 281, 2006
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5C39
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2GH2
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6UAL
 | | A Self-Assembling DNA Crystal Scaffold with Cavities Containing 3 Helical Turns per Edge | | Descriptor: | DNA (32-MER), DNA (5'-D(*TP*GP*GP*AP*AP*AP*CP*AP*GP*AP*CP*TP*GP*TP*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(P*AP*GP*CP*AP*TP*GP*A)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2019-09-10 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (4.514 Å) | | Cite: | Crystal Structure of a Self-Assembling DNA Crystal Scaffold with Rhombohedral Symmetry
To Be Published
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6UDN
 | | Crystal Structure of a Self-Assembling DNA Scaffold Containing TA Sticky Ends and Rhombohedral Symmetry | | Descriptor: | ARSENIC, DNA (5'-D(*TP*AP*CP*TP*GP*AP*CP*TP*CP*AP*TP*GP*CP*TP*CP*AP*TP*CP*TP*GP*A)-3'), DNA (5'-D(*TP*AP*TP*CP*AP*GP*AP*TP*G)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2019-09-19 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | A Self-Assembled Rhombohedral DNA Crystal Scaffold with Tunable Cavity Sizes and High-Resolution Structural Detail.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6U40
 | | Crystal Structure of a Self-Assembling DNA Crystal Scaffold with Rhombohedral Symmetry | | Descriptor: | CACODYLATE ION, DNA (5'-D(*CP*AP*CP*TP*GP*AP*CP*TP*CP*AP*TP*GP*CP*TP*CP*AP*TP*CP*TP*GP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*AP*GP*AP*TP*G)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2019-08-22 | | Release date: | 2020-08-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | A Self-Assembled Rhombohedral DNA Crystal Scaffold with Tunable Cavity Sizes and High-Resolution Structural Detail.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6UEF
 | | Crystal Structure of a Self-Assembling DNA Scaffold Containing Sequence Modifications to Attempt to Disrupt Crystal Contacts in a Rhombohedral Lattice. | | Descriptor: | DNA (5'-D(*CP*AP*AP*TP*GP*AP*CP*TP*CP*AP*TP*GP*CP*TP*CP*AP*TP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*GP*AP*TP*G)-3'), DNA (5'-D(P*AP*GP*CP*AP*TP*GP*A)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2019-09-20 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A Self-Assembled Rhombohedral DNA Crystal Scaffold with Tunable Cavity Sizes and High-Resolution Structural Detail.
Angew.Chem.Int.Ed.Engl., 59, 2020
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3LTB
 | | X-ray structure of a non-biological ATP binding protein determined in the presence of 10 mM ATP at 2.6 A after 3 weeks of incubation | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP BINDING PROTEIN-DX, CHLORIDE ION, ... | | Authors: | Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C. | | Deposit date: | 2010-02-15 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins.
Biochemistry, 49, 2010
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3LT9
 | | A non-biological ATP binding protein with a single point mutation (D65V), that contributes to optimized folding and ligand binding | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP BINDING PROTEIN-D65V, CHLORIDE ION, ... | | Authors: | Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C. | | Deposit date: | 2010-02-15 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins.
Biochemistry, 49, 2010
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3LTD
 | | X-ray structure of a non-biological ATP binding protein determined at 2.8 A by multi-wavelength anomalous dispersion | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP BINDING PROTEIN-DX, CHLORIDE ION, ... | | Authors: | Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C. | | Deposit date: | 2010-02-15 | | Release date: | 2010-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins.
Biochemistry, 49, 2010
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3LT8
 | | A non-biological ATP binding protein with a single point mutation (D65V), that contributes to optimized folding and ligand binding, crystallized in the presence of 100 mM ATP. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP BINDING PROTEIN-D65V, CHLORIDE ION, ... | | Authors: | Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C. | | Deposit date: | 2010-02-15 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins.
Biochemistry, 49, 2010
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3LTC
 | | X-ray structure of a non-biological ATP binding protein determined in the presence of 10 mM ATP at 2.0 A by multi-wavelength anomalous dispersion | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP BINDING PROTEIN-DX, CHLORIDE ION, ... | | Authors: | Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C. | | Deposit date: | 2010-02-15 | | Release date: | 2010-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins.
Biochemistry, 49, 2010
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3LTA
 | | Crystal structure of a non-biological ATP binding protein with a TYR-PHE mutation within the ligand binding domain | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP BINDING PROTEIN-DX, CHLORIDE ION, ... | | Authors: | Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C. | | Deposit date: | 2010-02-15 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins.
Biochemistry, 49, 2010
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3DGO
 | | A non-biological ATP binding protein with a Tyr-Phe mutation in the ligand binding domain | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP Binding Protein-DX, CHLORIDE ION, ... | | Authors: | Simmons, C.R, Allen, J.P, Chaput, J.C. | | Deposit date: | 2008-06-13 | | Release date: | 2009-06-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A synthetic protein selected for ligand binding affinity mediates ATP hydrolysis.
Acs Chem.Biol., 4, 2009
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3DGM
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3ELN
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5KEK
 | | Structure Determination of a Self-Assembling DNA Crystal | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*T)-3'), ... | | Authors: | Simmons, C.R, Birktoft, J.J, Seeman, N.C, Yan, H. | | Deposit date: | 2016-06-09 | | Release date: | 2016-08-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.098 Å) | | Cite: | Construction and Structure Determination of a Three-Dimensional DNA Crystal.
J.Am.Chem.Soc., 138, 2016
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5KEO
 | | Structure Determination of a Self-Assembling DNA Crystal | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*T)-3'), ... | | Authors: | Simmons, C.R, Birktoft, J.J, Seeman, N.C, Yan, H. | | Deposit date: | 2016-06-09 | | Release date: | 2016-08-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Construction and Structure Determination of a Three-Dimensional DNA Crystal.
J.Am.Chem.Soc., 138, 2016
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3DGL
 | | 1.8 A Crystal Structure of a Non-biological Protein with Bound ATP in a Novel Bent Conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP Binding Protein-DX, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Simmons, C.R, Allen, J.P, Chaput, J.C. | | Deposit date: | 2008-06-13 | | Release date: | 2009-06-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A synthetic protein selected for ligand binding affinity mediates ATP hydrolysis.
Acs Chem.Biol., 4, 2009
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3DGN
 | | A non-biological ATP binding protein crystallized in the presence of 100 mM ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP Binding Protein-DX, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Simmons, C.R, Allen, J.P, Chaput, J.C. | | Deposit date: | 2008-06-13 | | Release date: | 2009-06-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A synthetic protein selected for ligand binding affinity mediates ATP hydrolysis.
Acs Chem.Biol., 4, 2009
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5VCQ
 | | A Hyrdrogen Producing Hybrid Streptavidin-Diiron Catalyst | | Descriptor: | 2-methylpropyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate, Streptavidin | | Authors: | Simmons, C.R, Roy, A, Vaughn, M.D, Allen, J.P, Ghirlanda, G. | | Deposit date: | 2017-03-31 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Enhanced Photocatalytic Hydrogen Production by Hybrid Streptavidin-Diiron Catalysts
To Be Published
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5VY6
 | | A self-assembling D-form DNA crystal lattice | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ... | | Authors: | Simmons, C.R, Yan, H. | | Deposit date: | 2017-05-24 | | Release date: | 2017-08-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.064 Å) | | Cite: | Tuning the Cavity Size and Chirality of Self-Assembling 3D DNA Crystals.
J. Am. Chem. Soc., 139, 2017
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5VY7
 | | A self-assembling L-form DNA crystal lattice | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ... | | Authors: | Simmons, C.R, Yan, H. | | Deposit date: | 2017-05-24 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Tuning the Cavity Size and Chirality of Self-Assembling 3D DNA Crystals.
J. Am. Chem. Soc., 139, 2017
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8T7X
 | | Sequence specific (AATT) orientation of DAPI molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5) | | Descriptor: | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, CACODYLATE ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-21 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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