7CAM
 
 | | SARS-CoV-2 main protease (Mpro) apo structure (space group P212121) | | Descriptor: | 3C-like proteinase | | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chou, Y.Z, Chen, Y. | | Deposit date: | 2020-06-09 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural basis of SARS-CoV-2 main protease inhibition by a broad-spectrum anti-coronaviral drug.
Am J Cancer Res, 10, 2020
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7CB7
 | | 1.7A resolution structure of SARS-CoV-2 main protease (Mpro) in complex with broad-spectrum coronavirus protease inhibitor GC376 | | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chou, Y.Z, Chen, Y, Hung, M.C. | | Deposit date: | 2020-06-10 | | Release date: | 2021-05-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural basis of SARS-CoV-2 main protease inhibition by a broad-spectrum anti-coronaviral drug.
Am J Cancer Res, 10, 2020
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7X9F
 | | Crystal structure of actinomycin D-echinomycin-d(AGCGCGT/ACGCGCT) complex | | Descriptor: | 2-CARBOXYQUINOXALINE, DNA (5'-D(P*AP*CP*GP*CP*GP*CP*T)-3'), DNA (5'-D(P*AP*GP*CP*GP*CP*GP*T)-3'), ... | | Authors: | Kao, S.H, Satange, R.B, Hou, M.H. | | Deposit date: | 2022-03-15 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Staggered intercalation of DNA duplexes with base-pair modulation by two distinct drug molecules induces asymmetric backbone twisting and structure polymorphism.
Nucleic Acids Res., 50, 2022
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7X6R
 | | Crystal structure of actinomycin D-echinomycin-d(AGCACGT/ACGGGCT) complex | | Descriptor: | 2-CARBOXYQUINOXALINE, Actinomycin D, COBALT (II) ION, ... | | Authors: | Kao, S.H, Satange, R.B, Hou, M.H. | | Deposit date: | 2022-03-08 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Staggered intercalation of DNA duplexes with base-pair modulation by two distinct drug molecules induces asymmetric backbone twisting and structure polymorphism.
Nucleic Acids Res., 50, 2022
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7X97
 | | Crystal structure of actinomycin D-echinomycin-d(AGCCCGT/ACGGGCT) complex | | Descriptor: | 2-CARBOXYQUINOXALINE, Actinomycin D, CHLORIDE ION, ... | | Authors: | Kao, S.H, Satange, R.B, Hou, M.H. | | Deposit date: | 2022-03-15 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Staggered intercalation of DNA duplexes with base-pair modulation by two distinct drug molecules induces asymmetric backbone twisting and structure polymorphism.
Nucleic Acids Res., 50, 2022
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7X4T
 | | LpCdnE UMPNPP Mg complex | | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, Cyclic dipyrimidine nucleotide synthase, GLYCEROL, ... | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4P
 | | CD-NTase EfCdnE in complex with intermediate pppUpU | | Descriptor: | EfCdnE, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE, ... | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4A
 | | Native CD-NTase ClCdnE | | Descriptor: | ClCdnE | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4C
 | | Native CD-NTase EfCdnE | | Descriptor: | EfCdnE, L(+)-TARTARIC ACID | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4G
 | | CD-NTase ClCdnE in complex with substrate UTP | | Descriptor: | ClCdnE, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4F
 | | Native CD-NTase LpCdnE | | Descriptor: | Cyclic dipyrimidine nucleotide synthase, SULFATE ION | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4Q
 | | LpCdnE UTP Mg complex | | Descriptor: | Cyclic dipyrimidine nucleotide synthase, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7BPV
 | | r(GUGGGCCGAC)/d(GTCGGCCCAC) hybrid duplex structure | | Descriptor: | DNA (5'-D(P*GP*TP*CP*GP*GP*CP*CP*CP*AP*C)-3'), RNA (5'-R(P*GP*UP*GP*GP*GP*CP*CP*GP*AP*C)-3'), SULFATE ION | | Authors: | Wang, S.C, Satange, R.B, Hou, M.H. | | Deposit date: | 2020-03-23 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | Targeting the ALS/FTD-associated A-DNA kink with anthracene-based metal complex causes DNA backbone straightening and groove contraction.
Nucleic Acids Res., 49, 2021
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7YIB
 | | Crystal structure of wild-type Cap4 SAVED domain-containing receptor from Enterobacter cloacae | | Descriptor: | CD-NTase-associated protein 4, CHLORIDE ION | | Authors: | Ko, T.-P, Yang, C.-S, Hou, M.-H, Wang, Y.-C, Chen, Y. | | Deposit date: | 2022-07-15 | | Release date: | 2023-05-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Specific recognition of cyclic oligonucleotides by Cap4 for phage infection.
Int.J.Biol.Macromol., 237, 2023
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7YIA
 | | Crystal structure of K74A mutant of Cap4 SAVED domain-containing receptor from Enterobacter cloacae | | Descriptor: | CD-NTase-associated protein 4, MAGNESIUM ION | | Authors: | Ko, T.-P, Yang, C.-S, Hou, M.-H, Wang, Y.-C, Chen, Y. | | Deposit date: | 2022-07-15 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.428 Å) | | Cite: | Specific recognition of cyclic oligonucleotides by Cap4 for phage infection.
Int.J.Biol.Macromol., 237, 2023
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8W76
 | | Crystal structure of d(CGTATACG)2 duplex | | Descriptor: | DNA (5'-D(P*CP*GP*TP*AP*TP*AP*CP*G)-3'), MANGANESE (II) ION | | Authors: | Satange, R.B, Peng, C.L, Hou, M.H. | | Deposit date: | 2023-08-30 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Targeting DNA junction sites by bis-intercalators induces topological changes with potent antitumor effects.
Nucleic Acids Res., 52, 2024
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8W7W
 | | Crystal structure of d(CGTATACG)2 with acridine complex | | Descriptor: | DNA (5'-D(P*CP*GP*TP*AP*TP*AP*CP*G)-3'), MAGNESIUM ION, ~{N},~{N}'-di(acridin-9-yl)pentane-1,5-diamine | | Authors: | Huang, S.C, Satange, R.B, Hou, M.H. | | Deposit date: | 2023-08-31 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Targeting DNA junction sites by bis-intercalators induces topological changes with potent antitumor effects.
Nucleic Acids Res., 52, 2024
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8WQ7
 | | Crystal structure of d(CGTATACG)2 with a four-carbon linker containing diacridine compound | | Descriptor: | DNA (5'-D(P*CP*GP*TP*AP*TP*AP*CP*G)-3'), MANGANESE (II) ION, N,N'-di(acridin-9-yl)butane-1,4-diamine | | Authors: | Huang, S.C, Satange, R.B, Hou, M.H. | | Deposit date: | 2023-10-11 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Targeting DNA junction sites by bis-intercalators induces topological changes with potent antitumor effects.
Nucleic Acids Res., 52, 2024
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7Y2P
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7Y2B
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8JSJ
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8JSZ
 | | Crystal structure of a uridylate cyclase from Anabaena sp. | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | | Deposit date: | 2023-06-20 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural and functional characterization of cyclic pyrimidine-regulated anti-phage system.
Nat Commun, 15, 2024
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8JSF
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8JSK
 | | Crystal structure of an N-terminal cyclic nucleotide-binding domain of a PycTIR from Pseudovibrio sp. in complex with cUMP | | Descriptor: | PycTIR, Uridine-3',5'-cyclic monophosphate | | Authors: | Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | | Deposit date: | 2023-06-20 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structural and functional characterization of cyclic pyrimidine-regulated anti-phage system.
Nat Commun, 15, 2024
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7XJW
 | | Crystal structure of canine coronavirus main protease in complex with GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, ORF1a polyprotein | | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chiu, Y.F, Chen, Y. | | Deposit date: | 2022-04-18 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A Structural Comparison of SARS-CoV-2 Main Protease and Animal Coronaviral Main Protease Reveals Species-Specific Ligand Binding and Dimerization Mechanism.
Int J Mol Sci, 23, 2022
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