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7XUQ
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BU of 7xuq by Molmil
Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole
分子名称: Transcriptional regulator, PadR-like family, dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate
著者Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z.
登録日2022-05-19
公開日2022-09-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022
7CCD
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BU of 7ccd by Molmil
Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA
分子名称: DNA (5'-D(*CP*AP*CP*GP*TP*TP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*GP*AS*AP*CP*GP*TP*G)-3'), HNHc domain-containing protein
著者Yu, H, Li, J, Liu, G, Zhao, G, Wang, Y, Hu, W, Deng, Z, Gan, J, Zhao, Y, He, X.
登録日2020-06-16
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
3P9U
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BU of 3p9u by Molmil
Crystal structure of TetX2 from Bacteroides thetaiotaomicron with substrate analogue
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TetX2 protein
著者Walkiewicz, K, Davlieva, M, Sun, C, Lau, K, Shamoo, Y.
登録日2010-10-18
公開日2011-04-27
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Crystal structure of Bacteroides thetaiotaomicron TetX2: a tetracycline degrading monooxygenase at 2.8 A resolution.
Proteins, 79, 2011
7ES4
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BU of 7es4 by Molmil
the crystral structure of DndH-C-domain
分子名称: DNA phosphorothioation-dependent restriction protein DptH
著者Wu, D.
登録日2021-05-08
公開日2022-05-11
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: DNA phosphorothioation-dependent restriction protein DptG, SODIUM ION
著者Wu, D, Wang, L.
登録日2021-05-28
公開日2022-06-01
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The functional coupling between restriction and DNA phosphorothioate modification systems underlying the DndFGH restriction complex
Nat Catal, 2022
6LB9
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BU of 6lb9 by Molmil
Magnesium ion-bound SspB crystal structure
分子名称: DUF4007 domain-containing protein, MAGNESIUM ION
著者Liqiong, L, Yubing, Z.
登録日2019-11-13
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.227 Å)
主引用文献SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
6ICT
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BU of 6ict by Molmil
Structure of SETD3 bound to SAH and methylated actin
分子名称: Actin, cytoplasmic 1, Histone-lysine N-methyltransferase setd3, ...
著者Guo, Q, Liao, S, Xu, C, Structural Genomics Consortium (SGC)
登録日2018-09-07
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Structural insights into SETD3-mediated histidine methylation on beta-actin.
Elife, 8, 2019
6ICV
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BU of 6icv by Molmil
Structure of SETD3 bound to SAH and unmodified actin
分子名称: Actin, cytoplasmic 1, Histone-lysine N-methyltransferase setd3, ...
著者Guo, Q, Liao, S, Xu, C, Structural Genomics Consortium (SGC)
登録日2018-09-07
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural insights into SETD3-mediated histidine methylation on beta-actin.
Elife, 8, 2019
6JIV
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BU of 6jiv by Molmil
SspE crystal structure
分子名称: SspE protein
著者Bing, Y.Z, Yang, H.G.
登録日2019-02-23
公開日2020-03-25
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
6JJ0
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BU of 6jj0 by Molmil
NMR structure of the 1:1 complex of a carbazole derivative BMVC bound to c-MYC G-quadruplex
分子名称: 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole, MycG4
著者Liu, W, Lin, C, Yang, D.
登録日2019-02-24
公開日2019-10-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献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
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
分子名称: 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')
著者Lin, C, Liu, W, Yang, D.
登録日2019-02-24
公開日2019-10-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献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
6JUF
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BU of 6juf by Molmil
SspB crystal structure
分子名称: SspB protein
著者Liqiong, L, Yubing, Z.
登録日2019-04-13
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
7JM5
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BU of 7jm5 by Molmil
Crystal structure of KDM4B in complex with QC6352
分子名称: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
著者White, S.W, Yun, M.
登録日2020-07-31
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
7UAH
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BU of 7uah by Molmil
Macrocyclic plasmin inhibitor
分子名称: (2~{R})-butane-1,2-diol, (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide, Plasminogen, ...
著者Guojie, W.
登録日2022-03-12
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Synthesis and Structural Characterization of Macrocyclic Plasmin Inhibitors.
Chemmedchem, 18, 2023
7C4A
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BU of 7c4a by Molmil
nicA2 with cofactor FAD
分子名称: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Xu, P, Zang, K.
登録日2020-05-15
公開日2020-06-03
最終更新日2020-12-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献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
分子名称: 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Xu, P, Zhang, K.
登録日2020-05-15
公開日2020-06-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular Deceleration Regulates Toxicant Release to Prevent Cell Damage in Pseudomonas putida S16 (DSM 28022).
Mbio, 11, 2020
5V3S
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BU of 5v3s by Molmil
Crystal structure of IP-1A from Alcaligenes faecalis at 1.8A resolution
分子名称: Two-component insecticidal protein 16 kDa unit
著者Yalpani, N, Altier, D, Guan, R, Montelione, G.
登録日2017-03-08
公開日2017-06-14
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Alcaligenes strain emulates Bacillus thuringiensis producing a binary protein that kills corn rootworm through a mechanism similar to Cry34Ab1/Cry35Ab1.
Sci Rep, 7, 2017
7F3Q
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BU of 7f3q by Molmil
SARS-CoV-2 RBD in complex with A5-10 Fab and A34-2 Fab
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A34-2 Fab, ...
著者Dou, Y, Wang, X, Liu, P, Lu, B, Wang, K.
登録日2021-06-16
公開日2022-06-22
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Development of neutralizing antibodies against SARS-CoV-2, using a high-throughput single-B-cell cloning method.
Antib Ther, 6, 2023
6LJH
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BU of 6ljh by Molmil
Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua in complex with NAD+
分子名称: Alcohol dehydrogenase 1, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Feng, X, Fan, S, Li, M, Zou, S, Lv, G, Wu, G, Jin, Y, Yang, Z.
登録日2019-12-16
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua in complex with NAD+
To Be Published
5TP9
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BU of 5tp9 by Molmil
Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178)
分子名称: 7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, ACETATE ION, CALCIUM ION, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-10-20
公開日2016-11-30
最終更新日2017-02-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
5TPA
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BU of 5tpa by Molmil
Structure of the human GluN1/GluN2A LBD in complex with compound 9 (GNE3500)
分子名称: (1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile, GLUTAMIC ACID, GLYCINE, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-10-20
公開日2016-11-30
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
4JYA
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BU of 4jya by Molmil
Crystal structures of pseudouridinilated stop codons with ASLs
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V.
登録日2013-03-29
公開日2013-06-26
最終更新日2013-08-21
実験手法X-RAY DIFFRACTION (3.098 Å)
主引用文献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
分子名称: 16S ribosomal RNA, 30S ribosomal protein 20, 30S ribosomal protein S10, ...
著者Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V.
登録日2013-03-25
公開日2013-06-26
最終更新日2013-08-21
実験手法X-RAY DIFFRACTION (3.162 Å)
主引用文献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
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V.
登録日2013-04-04
公開日2013-06-26
最終更新日2013-08-21
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Unusual base pairing during the decoding of a stop codon by the ribosome.
Nature, 500, 2013
5XV7
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BU of 5xv7 by Molmil
SRPK1 in complex with Alectinib
分子名称: 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
著者Zeng, C, Ngo, J.C.K.
登録日2017-06-26
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献SRPKIN-1: A Covalent SRPK1/2 Inhibitor that Potently Converts VEGF from Pro-angiogenic to Anti-angiogenic Isoform
Cell Chem Biol, 25, 2018

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