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7XD3
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BU of 7xd3 by Molmil
The relaxed pre-Tet-S1 state of wild-type Tetrahymena group I intron with 6nt 3'/5'-exon
分子名称: MAGNESIUM ION, The relaxed pre-Tet-S1 state molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 6nt 3'/5'-exon
著者Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
登録日2022-03-26
公開日2023-03-29
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7XD5
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BU of 7xd5 by Molmil
The Tet-S2 state of wild-type Tetrahymena group I intron with 30nt 3'/5'-exon
分子名称: MAGNESIUM ION, SPERMIDINE, The Tet-S2 state molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 30nt 3'/5'-exon (5'-exon), ...
著者Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
登録日2022-03-26
公開日2023-04-05
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7XD6
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BU of 7xd6 by Molmil
The Tet-S2 state with a pseudoknotted 4-way junction of wild-type Tetrahymena group I intron with 30nt 3'/5'-exon
分子名称: MAGNESIUM ION, SPERMIDINE, The Tet-S2 state with a pseudoknotted 4-way junction molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 30nt 3'/5'-exon (5'-exon), ...
著者Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
登録日2022-03-26
公開日2023-04-05
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7YEN
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BU of 7yen by Molmil
Crystal structure of the Keap1 Kelch domain in complex with Caffeic acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAFFEIC ACID, CALCIUM ION, ...
著者Wang, C, Jiang, L.
登録日2022-07-06
公開日2023-07-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the Keap1 Kelch domain complexed with Caffeic acid
To Be Published
3B5L
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BU of 3b5l by Molmil
Crystal Structure of a Novel Engineered Retroaldolase: RA-61
分子名称: AMMONIUM ION, Endoxylanase, SULFATE ION
著者Stoddard, B.L, Doyle, L.A.
登録日2007-10-26
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo computational design of retro-aldol enzymes.
Science, 319, 2008
3HOJ
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BU of 3hoj by Molmil
Crystal Structure of a Novel Engineered Retroaldolase: RA-22
分子名称: RETROALDOLASE-22
著者Stoddard, B.L, Doyle, L.A.
登録日2009-06-02
公開日2009-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献De Novo Computational Design of Retro-Aldol Enzymes
Science, 319, 2008
2N3X
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BU of 2n3x by Molmil
Solution Structure of TDP-43 Amyloidogenic Core Region
分子名称: TAR DNA-binding protein 43
著者Jiang, L, Zhao, J, Zhou, C, Hu, H.
登録日2015-06-11
公開日2016-04-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Two mutations G335D and Q343R within the amyloidogenic core region of TDP-43 influence its aggregation and inclusion formation
Sci Rep, 6, 2016
2N4H
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BU of 2n4h by Molmil
Solution Structure of the Q343R Mutant of TDP-43 Amyloidogenic Core Region
分子名称: TAR DNA-binding protein 43
著者Jiang, L, Zhao, J, Hu, H.
登録日2015-06-18
公開日2016-04-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Two mutations G335D and Q343R within the amyloidogenic core region of TDP-43 influence its aggregation and inclusion formation
Sci Rep, 6, 2016
2N4G
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BU of 2n4g by Molmil
Solution Structure of the G335D Mutant of TDP-43 Amyloidogenic Core Region
分子名称: TAR DNA-binding protein 43
著者Jiang, L, Zhao, J, Hu, H.
登録日2015-06-17
公開日2016-04-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Two mutations G335D and Q343R within the amyloidogenic core region of TDP-43 influence its aggregation and inclusion formation
Sci Rep, 6, 2016
5XFJ
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BU of 5xfj by Molmil
Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550M)
分子名称: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
著者Wu, D, Chen, Y.
登録日2017-04-10
公開日2018-08-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
3KLX
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BU of 3klx by Molmil
Crystal structure of native abscisic acid receptor PYL3
分子名称: F3N23.20 protein, SULFATE ION
著者Zhang, X, Wang, G, Chen, Z.
登録日2009-11-09
公開日2010-11-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
3KL1
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BU of 3kl1 by Molmil
Crystal structure of abscisic acid receptor PYL2 at 1.55 A
分子名称: Putative uncharacterized protein At2g26040
著者Zhang, X, Wang, G, Chen, Z.
登録日2009-11-06
公開日2010-11-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
6XVD
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BU of 6xvd by Molmil
Crystal structure of complex of urokinase and a upain-1 variant(W3F) in pH7.4 condition
分子名称: Urokinase-type plasminogen activator, upain-1-W3F
著者Xue, G.P, Xie, X, Zhou, Y, Yuan, C, Huang, M.D, Jiang, L.G.
登録日2020-01-21
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Insight to the residue in P2 position prevents the peptide inhibitor from being hydrolyzed by serine proteases.
Biosci.Biotechnol.Biochem., 84, 2020
4FHZ
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BU of 4fhz by Molmil
Crystal structure of a carboxyl esterase at 2.0 angstrom resolution
分子名称: DI(HYDROXYETHYL)ETHER, Phospholipase/Carboxylesterase, SODIUM ION
著者Wu, L, Ma, J, Zhou, J, Yu, H.
登録日2012-06-07
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
4XFO
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BU of 4xfo by Molmil
Structure of an amyloid-forming segment TAVVTN from human Transthyretin
分子名称: Amyloid-forming peptide TAVVTN
著者Saelices, L, Sawaya, M, Cascio, D, Eisenberg, D.S.
登録日2014-12-27
公開日2015-10-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4XFN
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BU of 4xfn by Molmil
Structure of an Amyloid forming peptide AEVVFT from Human Transthyretin
分子名称: Amyloid forming peptide AEVVFT
著者Saelices, L, Sawaya, M, Cascio, D, Eisenberg, D.S.
登録日2014-12-27
公開日2015-10-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8XLQ
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BU of 8xlq by Molmil
FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
9AX6
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BU of 9ax6 by Molmil
Tricomplex of RMC-6236, KRAS G12D, and CypA
分子名称: (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-03-05
公開日2024-04-17
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
5XN6
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BU of 5xn6 by Molmil
Heterodimer crystal structure of geranylgeranyl diphosphate synthases 1 with GGPPS Recruiting Protein(OsGRP) from Oryza sativa
分子名称: Os02g0668100 protein, Os07g0580900 protein
著者Wang, C, Zhou, F, Lu, S, Zhang, P.
登録日2017-05-18
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.598 Å)
主引用文献A recruiting protein of geranylgeranyl diphosphate synthase controls metabolic flux toward chlorophyll biosynthesis in rice
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7V29
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BU of 7v29 by Molmil
Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor
分子名称: Fibroblast growth factor receptor 4, N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide, SULFATE ION
著者Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H.
登録日2021-08-07
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.983 Å)
主引用文献Structure-based design of a dual-warhead covalent inhibitor of FGFR4.
Commun Chem, 5, 2022
8WRZ
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BU of 8wrz by Molmil
Cry-EM structure of cannabinoid receptor-arrestin 2 complex
分子名称: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ...
著者Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J.
登録日2023-10-16
公開日2024-02-28
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex.
Protein Cell, 15, 2024
6LBM
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BU of 6lbm by Molmil
Crystal Structure of FOXC2-DBD bound to a palindromic DNA sequence
分子名称: Forkhead box protein C2, IRE0, MAGNESIUM ION
著者Li, J, Dai, S.Y.
登録日2019-11-14
公開日2021-02-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.841 Å)
主引用文献Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
6LBI
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Crystal Structure of FOXO1-DBD homodimer bound to a palindromic DNA sequence
分子名称: Forkhead box protein O1, IRE0
著者Li, J, Dai, S.Y, Chen, Y.H.
登録日2019-11-14
公開日2021-02-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.067 Å)
主引用文献Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
6LHD
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BU of 6lhd by Molmil
Crystal structure of p53/BCL-xL fusion complex
分子名称: ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53
著者Wei, H, Chen, Y.
登録日2019-12-07
公開日2021-03-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis.
Nat Commun, 12, 2021

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