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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8TBD
| Sequence specific (AATT) orientation of Hoechst molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x5) | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, CACODYLATE ION, 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'), ... | 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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8T7B
| Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x5) | Descriptor: | 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*G)-3'), DNA (5'-D(P*AP*GP*GP*TP*CP*TP*GP*C)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-20 | 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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8TC2
| Sequence specific (AATT) orientation of netropsin molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5) | Descriptor: | 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*G)-3'), DNA (5'-D(P*AP*GP*GP*TP*CP*TP*GP*C)-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 (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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8T80
| Sequence specific (AATT) orientation of Hoechst molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5) | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 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'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*GP*T)-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 (2.91 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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8TA9
| Sequence specific (AATT) orientation of DAPI molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x6) | Descriptor: | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, COBALT (II) ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A*(DAP))-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 (2.8 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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8TAP
| Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x6) | Descriptor: | 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'), 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: | 2023-06-27 | 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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8TB8
| Sequence specific (AATT) orientation of Hoechst molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x5) | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*GP*AP*CP*AP*AP*TP*TP*GP*CP*TP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A*(HT1))-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 (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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8TAJ
| Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x6) | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*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'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-27 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 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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6KGQ
| LSD1-FCPA-MPE five-membered ring adduct model | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Niwa, H, Sato, S, Handa, N, Umehara, T. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6L8Z
| Crystal structure of ugt transferase mutant in complex with UPG | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X. | Deposit date: | 2019-11-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Efficient O-Glycosylation of Triterpenes Enabled by Protein Engineering of Plant Glycosyltransferase UGT74AC1 Acs Catalysis, 2020
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6V6R
| Crystal Structure of a Bromine Derivatized 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: | 2019-12-05 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 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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6L8W
| Crystal structure of ugt transferase mutant2 | Descriptor: | Glycosyltransferase | Authors: | Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X. | Deposit date: | 2019-11-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Efficient O-Glycosylation of Triterpenes Enabled by Protein Engineering of Plant Glycosyltransferase UGT74AC1 Acs Catalysis, 2020
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7C1L
| Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A in complex with C8-CoA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | Deposit date: | 2020-05-05 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
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7C1U
| Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140V/R148A in a "product-released" conformation | Descriptor: | Non-ribosomal peptide synthetase modules | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | Deposit date: | 2020-05-05 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
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6L90
| Crystal structure of ugt transferase enzyme | Descriptor: | Glycosyltransferase, SULFATE ION | Authors: | Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X. | Deposit date: | 2019-11-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Efficient O-Glycosylation of Triterpenes Enabled by Protein Engineering of Plant Glycosyltransferase UGT74AC1 Acs Catalysis, 2020
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7C1H
| Crystal structure of the starter condensation domain of rhizomide synthetase RzmA | Descriptor: | Non-ribosomal peptide synthetase modules | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | Deposit date: | 2020-05-04 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
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7C1R
| Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | Deposit date: | 2020-05-05 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
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7C1P
| Crystal structure of the starter condensation domain of the rhizomide synthetase RzmA mutant H140V, R148A | Descriptor: | Non-ribosomal peptide synthetase modules | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D. | Deposit date: | 2020-05-05 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
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6L6E
| Human PDE5 catalytic core in complex with avanafil | Descriptor: | 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide, MAGNESIUM ION, SULFATE ION, ... | Authors: | Hsieh, C.M, Chan, N.L. | Deposit date: | 2019-10-28 | Release date: | 2020-09-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of Human Phosphodiesterase 5A1 Complexed with Avanafil Reveals Molecular Basis of Isoform Selectivity and Guidelines for Targeting alpha-Helix Backbone Oxygen by Halogen Bonding. J.Med.Chem., 63, 2020
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7JRJ
| Chlamydomonas reinhardtii radial spoke head and neck (recombinant) | Descriptor: | Flagellar radial spoke protein 1, Flagellar radial spoke protein 10, Flagellar radial spoke protein 2, ... | Authors: | Grossman-Haham, I, Coudray, N, Yu, Z, Wang, F, Zhang, N, Bhabha, G, Vale, R.D. | Deposit date: | 2020-08-12 | Release date: | 2020-12-16 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Structure of the radial spoke head and insights into its role in mechanoregulation of ciliary beating. Nat.Struct.Mol.Biol., 28, 2021
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6L8X
| Crystal structure of Siraitia grosvenorii ugt transferase mutant2 | Descriptor: | Glycosyltransferase | Authors: | Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X. | Deposit date: | 2019-11-07 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Efficient O-Glycosylation of Triterpenes Enabled by Protein Engineering of Plant Glycosyltransferase UGT74AC1 Acs Catalysis, 10, 2020
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8A0H
| Crystal structure of the E25A mutant of the Orange Carotenoid Protein X from Gloeobacter kilaueensis JS1 complexed with echinenone | Descriptor: | OCP N-terminal domain-containing protein, SULFATE ION, beta,beta-caroten-4-one | Authors: | Boyko, K.M, Slonimskiy, Y.B, Zupnik, A.O, Varfolomeeva, L.A, Maksimov, E.G, Sluchanko, N.N. | Deposit date: | 2022-05-27 | Release date: | 2023-02-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A primordial Orange Carotenoid Protein: Structure, photoswitching activity and evolutionary aspects. Int.J.Biol.Macromol., 222, 2022
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7DMD
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5J7D
| Computationally Designed Thioredoxin dF106 | Descriptor: | COPPER (II) ION, Designed Thioredoxin dF106 | Authors: | Horowitz, S, Johansen, N, Olsen, J.G, Winther, J.R. | Deposit date: | 2016-04-06 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational Redesign of Thioredoxin Is Hypersensitive toward Minor Conformational Changes in the Backbone Template. J.Mol.Biol., 428, 2016
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