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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
Descriptor: MAGNESIUM ION, The relaxed pre-Tet-S1 state molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 6nt 3'/5'-exon
Authors: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.
Deposit date:2022-03-26
Release date:2023-03-29
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite: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
Descriptor: 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), ...
Authors: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.
Deposit date:2022-03-26
Release date:2023-04-05
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite: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
Descriptor: 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), ...
Authors: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.
Deposit date:2022-03-26
Release date:2023-04-05
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAFFEIC ACID, CALCIUM ION, ...
Authors:Wang, C, Jiang, L.
Deposit date:2022-07-06
Release date:2023-07-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: AMMONIUM ION, Endoxylanase, SULFATE ION
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2007-10-26
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: RETROALDOLASE-22
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2009-06-02
Release date:2009-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: TAR DNA-binding protein 43
Authors:Jiang, L, Zhao, J, Zhou, C, Hu, H.
Deposit date:2015-06-11
Release date:2016-04-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: TAR DNA-binding protein 43
Authors:Jiang, L, Zhao, J, Hu, H.
Deposit date:2015-06-18
Release date:2016-04-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: TAR DNA-binding protein 43
Authors:Jiang, L, Zhao, J, Hu, H.
Deposit date:2015-06-17
Release date:2016-04-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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)
Descriptor: 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
Authors:Wu, D, Chen, Y.
Deposit date:2017-04-10
Release date:2018-08-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite: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
Descriptor: F3N23.20 protein, SULFATE ION
Authors:Zhang, X, Wang, G, Chen, Z.
Deposit date:2009-11-09
Release date:2010-11-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Putative uncharacterized protein At2g26040
Authors:Zhang, X, Wang, G, Chen, Z.
Deposit date:2009-11-06
Release date:2010-11-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: Urokinase-type plasminogen activator, upain-1-W3F
Authors:Xue, G.P, Xie, X, Zhou, Y, Yuan, C, Huang, M.D, Jiang, L.G.
Deposit date:2020-01-21
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: DI(HYDROXYETHYL)ETHER, Phospholipase/Carboxylesterase, SODIUM ION
Authors:Wu, L, Ma, J, Zhou, J, Yu, H.
Deposit date:2012-06-07
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: Amyloid-forming peptide TAVVTN
Authors:Saelices, L, Sawaya, M, Cascio, D, Eisenberg, D.S.
Deposit date:2014-12-27
Release date:2015-10-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: Amyloid forming peptide AEVVFT
Authors:Saelices, L, Sawaya, M, Cascio, D, Eisenberg, D.S.
Deposit date:2014-12-27
Release date:2015-10-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite: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
Descriptor: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: (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, ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2024-03-05
Release date:2024-04-17
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: Os02g0668100 protein, Os07g0580900 protein
Authors:Wang, C, Zhou, F, Lu, S, Zhang, P.
Deposit date:2017-05-18
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.598 Å)
Cite: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
Descriptor: 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
Authors:Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H.
Deposit date:2021-08-07
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.983 Å)
Cite: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
Descriptor: (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, ...
Authors:Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2023-10-16
Release date:2024-02-28
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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
Descriptor: Forkhead box protein C2, IRE0, MAGNESIUM ION
Authors:Li, J, Dai, S.Y.
Deposit date:2019-11-14
Release date:2021-02-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.841 Å)
Cite:Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
6LBI
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BU of 6lbi by Molmil
Crystal Structure of FOXO1-DBD homodimer bound to a palindromic DNA sequence
Descriptor: Forkhead box protein O1, IRE0
Authors:Li, J, Dai, S.Y, Chen, Y.H.
Deposit date:2019-11-14
Release date:2021-02-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.067 Å)
Cite: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
Descriptor: ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53
Authors:Wei, H, Chen, Y.
Deposit date:2019-12-07
Release date:2021-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis.
Nat Commun, 12, 2021

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