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6O2L
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BU of 6o2l by Molmil
NMR structure of the 2:1 complex of a carbazole derivative BMVC bound to c-MYC G-quadruplex
Descriptor: 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole, DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3')
Authors:Lin, C, Liu, W, Yang, D.
Deposit date:2019-02-24
Release date:2019-10-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structures of 1:1 and 2:1 complexes of BMVC and MYC promoter G-quadruplex reveal a mechanism of ligand conformation adjustment for G4-recognition.
Nucleic Acids Res., 47, 2019
6WB4
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BU of 6wb4 by Molmil
Microbiome-derived Acarbose Kinase Mak1 Labeled with selenomethionine
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Acarbose Kinase Mak1, ...
Authors:Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
Deposit date:2020-03-26
Release date:2021-04-21
Last modified:2021-12-15
Method:X-RAY DIFFRACTION (2.593 Å)
Cite:The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
6WB5
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BU of 6wb5 by Molmil
Microbiome-derived Acarbose Kinase Mak1 as a Complex with Acarbose and AMP-PNP
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose Kinase Mak1, MANGANESE (II) ION, ...
Authors:Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
Deposit date:2020-03-26
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
6WB7
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BU of 6wb7 by Molmil
Acarbose Kinase AcbK as a Complex with Acarbose and AMP-PNP
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose 7(IV)-phosphotransferase, MANGANESE (II) ION, ...
Authors:Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
Deposit date:2020-03-26
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
7ES4
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BU of 7es4 by Molmil
the crystral structure of DndH-C-domain
Descriptor: DNA phosphorothioation-dependent restriction protein DptH
Authors:Wu, D.
Deposit date:2021-05-08
Release date:2022-05-11
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The functional coupling between restriction and DNA phosphorothioate modification systems underlying the DndFGH restriction complex
Nat Catal, 2022
7EXX
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BU of 7exx by Molmil
The structure of DndG
Descriptor: DNA phosphorothioation-dependent restriction protein DptG, SODIUM ION
Authors:Wu, D, Wang, L.
Deposit date:2021-05-28
Release date:2022-06-01
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The functional coupling between restriction and DNA phosphorothioate modification systems underlying the DndFGH restriction complex
Nat Catal, 2022
7C4A
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BU of 7c4a by Molmil
nicA2 with cofactor FAD
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Xu, P, Zang, K.
Deposit date:2020-05-15
Release date:2020-06-03
Last modified:2020-12-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular Deceleration Regulates Toxicant Release to Prevent Cell Damage in Pseudomonas putida S16 (DSM 28022).
Mbio, 11, 2020
7C49
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BU of 7c49 by Molmil
nicA2 with cofactor FAD and substrate nicotine
Descriptor: 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Xu, P, Zhang, K.
Deposit date:2020-05-15
Release date:2020-06-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular Deceleration Regulates Toxicant Release to Prevent Cell Damage in Pseudomonas putida S16 (DSM 28022).
Mbio, 11, 2020
7WD1
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BU of 7wd1 by Molmil
Crystal structure of R14 bound to SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, R14, Spike protein S1, ...
Authors:Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
7WD2
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BU of 7wd2 by Molmil
Crystal structure of S43 bound to SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
7XUQ
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BU of 7xuq by Molmil
Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole
Descriptor: Transcriptional regulator, PadR-like family, dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate
Authors:Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z.
Deposit date:2022-05-19
Release date:2022-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022
7XUP
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BU of 7xup by Molmil
Crystal structure of TPe3.0
Descriptor: Transcriptional regulator, PadR-like family
Authors:Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z.
Deposit date:2022-05-19
Release date:2022-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022
7F3Q
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BU of 7f3q by Molmil
SARS-CoV-2 RBD in complex with A5-10 Fab and A34-2 Fab
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A34-2 Fab, ...
Authors:Dou, Y, Wang, X, Liu, P, Lu, B, Wang, K.
Deposit date:2021-06-16
Release date:2022-06-22
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Development of neutralizing antibodies against SARS-CoV-2, using a high-throughput single-B-cell cloning method.
Antib Ther, 6, 2023
6AGI
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BU of 6agi by Molmil
Crystal Structure of EFHA2 in Ca-binding State
Descriptor: CALCIUM ION, Calcium uptake protein 3, mitochondrial, ...
Authors:Yangfei, X, Xue, Y, Yuequan, S.
Deposit date:2018-08-11
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Dimerization of MICU Proteins Controls Ca2+Influx through the Mitochondrial Ca2+Uniporter.
Cell Rep, 26, 2019
6CCW
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BU of 6ccw by Molmil
Hybrid-2 form Human Telomeric G Quadruplex in Complex with Epiberberine
Descriptor: DNA (26-MER), Epiberberine
Authors:Lin, C, Yang, D.Z.
Deposit date:2018-02-07
Release date:2018-06-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular Recognition of the Hybrid-2 Human Telomeric G-Quadruplex by Epiberberine: Insights into Conversion of Telomeric G-Quadruplex Structures.
Angew. Chem. Int. Ed. Engl., 57, 2018
3P9U
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BU of 3p9u by Molmil
Crystal structure of TetX2 from Bacteroides thetaiotaomicron with substrate analogue
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TetX2 protein
Authors:Walkiewicz, K, Davlieva, M, Sun, C, Lau, K, Shamoo, Y.
Deposit date:2010-10-18
Release date:2011-04-27
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal structure of Bacteroides thetaiotaomicron TetX2: a tetracycline degrading monooxygenase at 2.8 A resolution.
Proteins, 79, 2011
5XV7
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BU of 5xv7 by Molmil
SRPK1 in complex with Alectinib
Descriptor: 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, serine-arginine (SR) protein kinase 1
Authors:Zeng, C, Ngo, J.C.K.
Deposit date:2017-06-26
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:SRPKIN-1: A Covalent SRPK1/2 Inhibitor that Potently Converts VEGF from Pro-angiogenic to Anti-angiogenic Isoform
Cell Chem Biol, 25, 2018
8JVA
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BU of 8jva by Molmil
Cryo-EM structure of the N-terminal domain of Omicron BA.1 in complex with nanobody N235 and S2L20 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 heavy chain, S2L20 light chain, ...
Authors:Liu, B, Liu, H.H, Han, P, Qi, J.X.
Deposit date:2023-06-28
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Enhanced potency of an IgM-like nanobody targeting conserved epitope in SARS-CoV-2 spike N-terminal domain.
Signal Transduct Target Ther, 9, 2024
6AGH
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BU of 6agh by Molmil
Crystal structure of EFHA1 in Apo-State
Descriptor: Calcium uptake protein 2, mitochondrial
Authors:Yangfei, X, Xue, Y, Yuequan, S.
Deposit date:2018-08-11
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.742 Å)
Cite:Dimerization of MICU Proteins Controls Ca2+Influx through the Mitochondrial Ca2+Uniporter.
Cell Rep, 26, 2019
6AGJ
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BU of 6agj by Molmil
Crystal Structure of EFHA2 in Apo State
Descriptor: Calcium uptake protein 3, mitochondrial
Authors:Yangfei, X, Xue, Y, Yuequan, S.
Deposit date:2018-08-11
Release date:2019-01-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Dimerization of MICU Proteins Controls Ca2+Influx through the Mitochondrial Ca2+Uniporter.
Cell Rep, 26, 2019
6ICV
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BU of 6icv by Molmil
Structure of SETD3 bound to SAH and unmodified actin
Descriptor: Actin, cytoplasmic 1, Histone-lysine N-methyltransferase setd3, ...
Authors:Guo, Q, Liao, S, Xu, C, Structural Genomics Consortium (SGC)
Deposit date:2018-09-07
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into SETD3-mediated histidine methylation on beta-actin.
Elife, 8, 2019
4JYA
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BU of 4jya by Molmil
Crystal structures of pseudouridinilated stop codons with ASLs
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V.
Deposit date:2013-03-29
Release date:2013-06-26
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Unusual base pairing during the decoding of a stop codon by the ribosome.
Nature, 500, 2013
4JV5
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BU of 4jv5 by Molmil
Crystal structures of pseudouridinilated stop codons with ASLs
Descriptor: 16S ribosomal RNA, 30S ribosomal protein 20, 30S ribosomal protein S10, ...
Authors:Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V.
Deposit date:2013-03-25
Release date:2013-06-26
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (3.162 Å)
Cite:Unusual base pairing during the decoding of a stop codon by the ribosome.
Nature, 500, 2013
4K0K
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BU of 4k0k by Molmil
Crystal structure of the Thermus thermophilus 30S ribosomal subunit complexed with a serine-ASL and mRNA containing a stop codon
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V.
Deposit date:2013-04-04
Release date:2013-06-26
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Unusual base pairing during the decoding of a stop codon by the ribosome.
Nature, 500, 2013
6JIV
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BU of 6jiv by Molmil
SspE crystal structure
Descriptor: SspE protein
Authors:Bing, Y.Z, Yang, H.G.
Deposit date:2019-02-23
Release date:2020-03-25
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020

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