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6PTX
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BU of 6ptx by Molmil
Dark, 100K, PCM Myxobacterial Phytochrome, P2, Wild Type,
Descriptor: 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
Authors:Pandey, S, Schmidt, M, Stojkovic, E.A.
Deposit date:2019-07-16
Release date:2019-10-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures.
Struct Dyn., 6, 2019
7QLJ
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BU of 7qlj by Molmil
Trans structure of rsKiiro Illuminated at 290 K
Descriptor: SULFATE ION, rsKiiro
Authors:van Thor, J.J, Baxter, J.M.
Deposit date:2021-12-20
Release date:2022-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
7QLM
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BU of 7qlm by Molmil
rsKiiro trans chromophore dark structure by SFX
Descriptor: rsKiiro
Authors:van Thor, J.J.
Deposit date:2021-12-20
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
7QLO
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BU of 7qlo by Molmil
rsKiiro pump dump probe structure by TR-SFX
Descriptor: rsKiiro
Authors:van Thor, J.J.
Deposit date:2021-12-20
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
7QLN
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BU of 7qln by Molmil
rsKiiro pump probe structure by TR-SFX
Descriptor: rsKiiro
Authors:van Thor, J.J.
Deposit date:2021-12-20
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
4XHJ
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BU of 4xhj by Molmil
gHgL of Varicella-zoster virus in complex with human neutralizing antibodies.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, ...
Authors:Xing, Y.
Deposit date:2015-01-05
Release date:2015-05-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.156 Å)
Cite:A site of varicella-zoster virus vulnerability identified by structural studies of neutralizing antibodies bound to the glycoprotein complex gHgL.
Proc.Natl.Acad.Sci.USA, 112, 2015
6Q2A
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BU of 6q2a by Molmil
Trypanosoma brucei CLK1 kinase domain in complex with a covalent aminobenzimidazole inhibitor AB1
Descriptor: Protein kinase, putative, SULFATE ION, ...
Authors:Ma, X, Ornelas, E.
Deposit date:2019-08-07
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Targeting the trypanosome kinetochore with CLK1 protein kinase inhibitors.
Nat Microbiol, 5, 2020
4XI5
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BU of 4xi5 by Molmil
gHgL of varicella-zoster virus in complex with human neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
Authors:Xing, Y.
Deposit date:2015-01-06
Release date:2015-05-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:A site of varicella-zoster virus vulnerability identified by structural studies of neutralizing antibodies bound to the glycoprotein complex gHgL.
Proc.Natl.Acad.Sci.USA, 112, 2015
8F4Y
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BU of 8f4y by Molmil
Crystal Structure of SARS-CoV-2 2'-O-Methyltransferase in Complex with Compound 5a covalently bound to nsp16 and nsp10
Descriptor: 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-11-11
Release date:2023-10-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.
Acs Infect Dis., 9, 2023
8F4S
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BU of 8f4s by Molmil
Crystal Structure of the SARS-CoV-2 2'-O-Methyltransferase with Compound 5a bound to the Cryptic Pocket of nsp16
Descriptor: 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, FORMIC ACID, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-11-11
Release date:2023-10-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.
Acs Infect Dis., 9, 2023
6Q9Z
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BU of 6q9z by Molmil
Crystal structure of the pathological G167R variant of calcium-free human gelsolin,
Descriptor: GLYCEROL, Gelsolin, SULFATE ION
Authors:Boni, F, Scalone, E, Milani, M, Eloise, M, de Rosa, M.
Deposit date:2018-12-18
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties.
Eur.Biophys.J., 49, 2020
6QBF
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BU of 6qbf by Molmil
Crystal structure of the pathological D187N variant of calcium-free human gelsolin.
Descriptor: GLYCEROL, Gelsolin, SODIUM ION, ...
Authors:Scalone, E, Boni, F, Milani, M, Eloise, M, de Rosa, M.
Deposit date:2018-12-21
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.499 Å)
Cite:The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties.
Eur.Biophys.J., 49, 2020
6Q9R
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BU of 6q9r by Molmil
Crystal structure of the pathological N184K variant of calcium-free human gelsolin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Scalone, E, Boni, F, Milani, M, Eloise, M, de Rosa, M.
Deposit date:2018-12-18
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties.
Eur.Biophys.J., 49, 2020
5LBR
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BU of 5lbr by Molmil
Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at SACLA
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome
Authors:Edlund, P, Claesson, E, Nakane, T, Takala, H, Dods, R, Schmidt, M, Westenhoff, S.
Deposit date:2016-06-17
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
5L8M
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BU of 5l8m by Molmil
Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at LCLS
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome
Authors:Claesson, E, Takala, H, Edlund, P, Henry, L, Dods, R, Schmidt, M, Westenhoff, S.
Deposit date:2016-06-08
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
8K6Y
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BU of 8k6y by Molmil
Serial femtosecond crystallography structure of photo dissociated CO from ba3- type cytochrome c oxidase determined by extrapolation method
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ...
Authors:Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Zoric, D, Sandelin, E, Iwata, S, Neutze, R, Branden, G.
Deposit date:2023-07-25
Release date:2023-11-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
7R54
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BU of 7r54 by Molmil
Crystal structure of human TLR8 in complex with Compound 4
Descriptor: (5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
Authors:Faller, M, Zink, F.
Deposit date:2022-02-10
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.836 Å)
Cite:Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
5FIV
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BU of 5fiv by Molmil
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
Descriptor: RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
Deposit date:1998-12-02
Release date:1998-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
7TTR
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BU of 7ttr by Molmil
Skd3_ATPyS_FITC-casein Hexamer, AAA+ only
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Beta-casein, Caseinolytic peptidase B protein homolog, ...
Authors:Rizo, A.N.
Deposit date:2022-02-01
Release date:2022-09-28
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Unique structural features govern the activity of a human mitochondrial AAA+ disaggregase, Skd3.
Cell Rep, 40, 2022
7TTS
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BU of 7tts by Molmil
Skd3, hexamer, filtered
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Beta-casein, Caseinolytic peptidase B protein homolog, ...
Authors:Rizo, A.N, Cupo, R.R.
Deposit date:2022-02-01
Release date:2022-09-28
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Unique structural features govern the activity of a human mitochondrial AAA+ disaggregase, Skd3.
Cell Rep, 40, 2022
8GSA
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BU of 8gsa by Molmil
Solution structure of holo acyl carrier protein A from Enterococcus faecalis
Descriptor: Acyl carrier protein
Authors:Yeon, J, Kim, Y.
Deposit date:2022-09-05
Release date:2023-03-29
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural study of acyl carrier protein of Enterococcus faecalis and its interaction with enzymes in de novo fatty acid synthesis.
Biochem.Biophys.Res.Commun., 637, 2022
7R53
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BU of 7r53 by Molmil
Crystal structure of human TLR8 in complex with Compound 15
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine, Toll-like receptor 8, ...
Authors:Faller, M, Zink, F.
Deposit date:2022-02-10
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.121 Å)
Cite:Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
7R52
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BU of 7r52 by Molmil
Crystal structure of human TLR8 in complex with Compound 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-6-pyridin-4-yl-1~{H}-indole, Toll-like receptor 8, ...
Authors:Faller, M, Zink, F.
Deposit date:2022-02-10
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.943 Å)
Cite:Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
6AZY
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BU of 6azy by Molmil
Crystal structure of Hsp104 R328M/R757M mutant from Calcarisporiella thermophila
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock protein Hsp104
Authors:Michalska, K, Bigelow, L, Hatzos-Skintges, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-09-13
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of Calcarisporiella thermophila Hsp104 Disaggregase that Antagonizes Diverse Proteotoxic Misfolding Events.
Structure, 27, 2019
4KHB
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BU of 4khb by Molmil
Structure of the Spt16D Pob3N heterodimer
Descriptor: SULFATE ION, Uncharacterized protein POB3N, Uncharacterized protein SPT16D
Authors:Stuwe, T, Zhang, E, Ladurner, A.G.
Deposit date:2013-04-30
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of histone H2A-H2B recognition by the essential chaperone FACT.
Nature, 499, 2013

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數據於2024-07-24公開中

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