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7DOK
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BU of 7dok by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Yu, X.
Deposit date:2020-12-14
Release date:2021-12-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
8J5P
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BU of 8j5p by Molmil
Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 2,000lux
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ...
Authors:Xu, X, Xin, J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Elife, 12, 2023
8J5O
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BU of 8j5o by Molmil
Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 100lux
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ...
Authors:Xu, X, Xin, J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Elife, 12, 2023
5ILA
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BU of 5ila by Molmil
Deg9 protease domain
Descriptor: Protease Do-like 9
Authors:Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
Deposit date:2016-03-04
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
5ILB
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BU of 5ilb by Molmil
Crystal structure of protease domain of Deg2 linked with the PDZ domain of Deg9
Descriptor: Protease Do-like 2, chloroplastic,Protease Do-like 9
Authors:Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
Deposit date:2016-03-04
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
4E2A
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BU of 4e2a by Molmil
Crystal Structure of the Putative acetyltransferase from Streptococcus mutans
Descriptor: Putative acetyltransferase
Authors:Li, G.L, Nie, J.K, Li, L.F, Su, X.D.
Deposit date:2012-03-08
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Putative acetyltransferase from Streptococcus mutans
To be Published
5IL9
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BU of 5il9 by Molmil
Crystal structure of Deg9
Descriptor: GLYCEROL, Protease Do-like 9
Authors:Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
Deposit date:2016-03-04
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
8H97
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BU of 8h97 by Molmil
GH86 agarase Aga86A_Wa
Descriptor: Beta-agarase, CALCIUM ION, HEXAETHYLENE GLYCOL
Authors:Zhang, Y.Y, Dong, S, Feng, Y.G, Chang, Y.G.
Deposit date:2022-10-25
Release date:2023-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Structural characterization on a beta-agarase Aga86A_Wa from Wenyingzhuangia aestuarii reveals the prevalent methyl-galactose accommodation capacity of GH86 enzymes at subsite -1.
Carbohydr Polym, 306, 2023
2PE2
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BU of 2pe2 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX
Descriptor: 3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: Optimization of BX-517.
Bioorg.Med.Chem.Lett., 17, 2007
6JLU
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BU of 6jlu by Molmil
Structure of PSII-FCP supercomplex from a centric diatom Chaetoceros gracilis at 3.02 angstrom resolution
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Pi, X, Zhao, S, Wang, W, Kuang, T, Sui, S, Shen, J.
Deposit date:2019-03-06
Release date:2019-07-31
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:The pigment-protein network of a diatom photosystem II-light-harvesting antenna supercomplex.
Science, 365, 2019
4QR5
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BU of 4qr5 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR3
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BU of 4qr3 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.374 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR4
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BU of 4qr4 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
6ML6
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BU of 6ml6 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpA 5mC Modification)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*(5CM)P*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6ML5
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BU of 6ml5 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6ML4
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BU of 6ml4 by Molmil
BTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 3)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6ML2
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BU of 6ml2 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 1)
Descriptor: DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*CP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ZINC ION, ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.874 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6ML7
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BU of 6ml7 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpG 5mC Modification)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*(5CM)P*GP*AP*AP*TP*T)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6ML3
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BU of 6ml3 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 2)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.683 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
7E35
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BU of 7e35 by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43
Descriptor: N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION
Authors:Liu, J, Wang, Y, Xu, X, Pan, L.
Deposit date:2021-02-08
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
7D6H
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BU of 7d6h by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant
Descriptor: PHOSPHATE ION, Papain-like protease, ZINC ION
Authors:Liu, J, Wang, Y, Pan, L.
Deposit date:2020-09-30
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
7XGK
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BU of 7xgk by Molmil
Human renin in complex with compound1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND
Authors:Kashima, A.
Deposit date:2022-04-05
Release date:2022-08-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
7W5S
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BU of 7w5s by Molmil
A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE (II) ION, ...
Authors:Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T.
Deposit date:2021-11-30
Release date:2022-04-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Appl.Environ.Microbiol., 88, 2022
7W5T
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BU of 7w5t by Molmil
A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T.
Deposit date:2021-11-30
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Appl.Environ.Microbiol., 88, 2022
7W5V
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BU of 7w5v by Molmil
A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T.
Deposit date:2021-11-30
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Appl.Environ.Microbiol., 88, 2022

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數據於2024-06-12公開中

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