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3O6Y
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BU of 3o6y by Molmil
Robust computational design, optimization, and structural characterization of retroaldol enzymes
Descriptor: Retro-Aldolase, SULFATE ION
Authors:Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J.K, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D.
Deposit date:2010-07-29
Release date:2011-06-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
3NXF
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BU of 3nxf by Molmil
Robust computational design, optimization, and structural characterization of retroaldol enzymes
Descriptor: Retro-Aldolase, SULFATE ION
Authors:Althoff, E.A, Jiang, L, Wang, L, Lassila, J.K, Moody, J, Bolduc, J, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D.
Deposit date:2010-07-13
Release date:2011-06-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
8JIG
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BU of 8jig by Molmil
A Novel UHRF1-Targeted Compound
Descriptor: E3 ubiquitin-protein ligase UHRF1, N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide
Authors:Chen, Y, Jiang, L.
Deposit date:2023-05-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Novel UHRF1-Targeted Compound
To Be Published
3UD6
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BU of 3ud6 by Molmil
Structural analyses of covalent enzyme-substrate analogue complexes reveal strengths and limitations of de novo enzyme design
Descriptor: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION
Authors:Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D.
Deposit date:2011-10-27
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
6UFR
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BU of 6ufr by Molmil
Structure of recombinantly assembled E46K alpha-synuclein fibrils
Descriptor: Alpha-synuclein
Authors:Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Li, B, Jiang, L.
Deposit date:2019-09-24
Release date:2020-02-19
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:The alpha-synuclein hereditary mutation E46K unlocks a more stable, pathogenic fibril structure.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PES
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BU of 6pes by Molmil
Cryo-EM structure of alpha-synuclein H50Q Wide Fibril
Descriptor: Alpha-synuclein
Authors:Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S.
Deposit date:2019-06-20
Release date:2019-11-27
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs.
Nat.Struct.Mol.Biol., 26, 2019
6PEO
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BU of 6peo by Molmil
Cryo-EM structure of alpha-synuclein H50Q Narrow Fibril
Descriptor: Alpha-synuclein
Authors:Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S.
Deposit date:2019-06-20
Release date:2019-11-27
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs.
Nat.Struct.Mol.Biol., 26, 2019
7XD7
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BU of 7xd7 by Molmil
The pre-Tet-C state of wild-type Tetrahymena group I intron with 30nt 3'/5'-exon
Descriptor: MAGNESIUM ION, SPERMIDINE, The pre-Tet-C state molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 30nt 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
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
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
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
7XD4
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BU of 7xd4 by Molmil
The intermediate pre-Tet-S1 state of wild-type Tetrahymena group I intron with 6nt 3'/5'-exon
Descriptor: Co-transcriptional folded wild-type Tetrahymena group I intron with 6nt 3'/5'-exon, MAGNESIUM ION
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
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.89 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
Last modified:2024-06-26
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
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
5JFB
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BU of 5jfb by Molmil
Crystal structure of the scavenger receptor cysteine-rich domain 5 (SRCR5) from porcine CD163
Descriptor: Scavenger receptor cysteine-rich type 1 protein M130
Authors:Ma, H, Jiang, L, Qiao, S, Zhang, G, Li, R.
Deposit date:2016-04-19
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of the Fifth Scavenger Receptor Cysteine-Rich Domain of Porcine CD163 Reveals an Important Residue Involved in Porcine Reproductive and Respiratory Syndrome Virus Infection
J. Virol., 91, 2017
6CU7
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BU of 6cu7 by Molmil
Alpha Synuclein fibril formed by full length protein - Rod Polymorph
Descriptor: Alpha-synuclein
Authors:Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
Deposit date:2018-03-23
Release date:2018-09-12
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
6CU8
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BU of 6cu8 by Molmil
Alpha Synuclein fibril formed by full length protein - Twister Polymorph
Descriptor: Alpha-synuclein
Authors:Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
Deposit date:2018-03-23
Release date:2018-09-12
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
6CMH
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BU of 6cmh by Molmil
SYNTHETIC LINEAR MODIFIED ENDOTHELIN-1 AGONIST
Descriptor: PROTEIN (ENDOTHELIN-1)
Authors:Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H.
Deposit date:1998-09-03
Release date:1999-09-29
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling.
J.Pept.Res., 53, 1999
5EWU
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BU of 5ewu by Molmil
Crystal structure of the Arabidopsis thaliana C-terminal Chlh at 1.25A
Descriptor: BENZOIC ACID, MAGNESIUM ION, Magnesium-chelatase subunit ChlH, ...
Authors:Chen, Z, Zhang, X, Liu, Y, Jiang, L.
Deposit date:2015-11-21
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of the Arabidopsis thaliana C-terminal Chlh at 1.25A
To Be Published
4ZW0
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BU of 4zw0 by Molmil
Crystal structure of beta-Hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Candidatus asiaticum
Descriptor: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ
Authors:Wang, S, Gao, Z, Jiang, L, Dong, Y.H.
Deposit date:2015-05-19
Release date:2015-12-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Beta-Hydroxyacyl-acyl Carrier Protein Dehydratase (FabZ) from Candidatus Liberibacter Asiaticum: Protein Characterization and Structural Modeling
Austin J Microbiol., 1, 2015
3CMH
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BU of 3cmh by Molmil
SYNTHETIC LINEAR TRUNCATED ENDOTHELIN-1 AGONIST
Descriptor: PROTEIN (ENDOTHELIN-1)
Authors:Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H.
Deposit date:1998-09-03
Release date:1999-09-29
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling.
J.Pept.Res., 53, 1999
7VUX
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BU of 7vux by Molmil
Complex structure of PD1 and 609A-Fab
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Huang, H, Zhu, Z, Zhao, J, Jiang, L, Yang, H, Deng, L, Meng, X, Ding, J, Yang, S, Zhao, L, Xu, W, Wang, X.
Deposit date:2021-11-04
Release date:2021-11-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A strategy for the efficient construction of anti-PD1-based bispecific antibodies with desired IgG-like properties.
Mabs, 14, 2022
6AKO
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BU of 6ako by Molmil
Crystal Structure of FOXC2 DBD Bound to DBE2 DNA
Descriptor: DNA (5'-D(CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), Forkhead box protein C2, ...
Authors:Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y.
Deposit date:2018-09-03
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Structural basis for DNA recognition by FOXC2.
Nucleic Acids Res., 47, 2019
6AKP
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BU of 6akp by Molmil
Crystal Structural of FOXC2 DNA binding domain bound to PC promoter
Descriptor: DNA (5'-D(AP*CP*AP*CP*AP*AP*AP*TP*AP*TP*TP*TP*GP*TP*GP*T)-3'), Forkhead box protein C2, MAGNESIUM ION
Authors:Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y.
Deposit date:2018-09-03
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Structural basis for DNA recognition by FOXC2.
Nucleic Acids Res., 47, 2019
5UHT
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BU of 5uht by Molmil
Structure of the Thermotoga maritima HK853-BeF3-RR468 complex at pH 5.0
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Liu, Y, Rose, J, Jiang, L, Zhou, P.
Deposit date:2017-01-12
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases.
Nat Commun, 8, 2017
5V0L
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BU of 5v0l by Molmil
Crystal structure of the AHR-ARNT heterodimer in complex with the DRE
Descriptor: Aryl hydrocarbon receptor, Aryl hydrocarbon receptor nuclear translocator, CITRIC ACID, ...
Authors:Seok, S.-H, Lee, W, Jiang, L, Bradfield, C.A, Xing, Y.
Deposit date:2017-02-28
Release date:2017-04-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural hierarchy controlling dimerization and target DNA recognition in the AHR transcriptional complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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

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