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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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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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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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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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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2GH2
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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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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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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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3ELN
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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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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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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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8TAM
| Sequence specific (AATT) orientation of Hoechst molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x6) | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, COBALT (II) ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-27 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 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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8TB4
| Sequence specific (AATT) orientation of DAPI molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x5) | Descriptor: | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*GP*T*(DAP))-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-28 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.11 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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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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8TA8
| Sequence specific (AATT) orientation of netropsin molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x6) | Descriptor: | DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A*(NT)*(NT))-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-26 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.05 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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8TDT
| Sequence specific (AATT) orientation of DAPI molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x6) | Descriptor: | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-07-04 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.007 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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8TBO
| Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x5) | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*CP*AP*AP*TP*TP*GP*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, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-29 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.599 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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8TAQ
| Sequence specific (AATT) orientation of Hoechst molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x6) | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A*(HT1))-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*T)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-27 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.951 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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8TB3
| Sequence specific (AATT) orientation of DAPI molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x5) | Descriptor: | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, DNA (5'-D(*GP*AP*CP*AP*AP*TP*TP*GP*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, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-28 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 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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