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4FZD
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BU of 4fzd by Molmil
Crystal structure of MST4-MO25 complex with WSF motif
分子名称: C-terminal peptide from Serine/threonine-protein kinase MST4, Calcium-binding protein 39, GLYCEROL, ...
著者Shi, Z.B, Zhou, Z.C.
登録日2012-07-06
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
3R1B
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BU of 3r1b by Molmil
Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
分子名称: (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
著者Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R.
登録日2011-03-09
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
2ONH
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BU of 2onh by Molmil
Crystal Structure of of limonene synthase with 2-fluorolinalyl diphosphate(FLPP)
分子名称: (1S)-1-[(1S)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4S-limonene synthase, ...
著者Hyatt, D.C, Youn, B, Croteau, R, Kang, C.
登録日2007-01-24
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of limonene synthase, a simple model for terpenoid cyclase catalysis.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3R1A
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BU of 3r1a by Molmil
Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
分子名称: (4-tert-butylphenyl)acetaldehyde, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R.
登録日2011-03-09
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
4I2X
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BU of 4i2x by Molmil
Crystal structure of Signal Regulatory Protein gamma (SIRP-gamma) in complex with FabOX117
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FabOX117 heavy chain, ...
著者Nettleship, J.E, Ren, J, Stuart, D.I, Owens, R.J, Oxford Protein Production Facility (OPPF)
登録日2012-11-23
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal structure of signal regulatory protein gamma (SIRP gamma) in complex with an antibody Fab fragment.
Bmc Struct.Biol., 13, 2013
2ONG
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BU of 2ong by Molmil
Crystal Structure of of limonene synthase with 2-fluorogeranyl diphosphate (FGPP).
分子名称: (1S)-1-[(1R)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4S-limonene synthase, ...
著者Hyatt, D.C, Youn, B, Croteau, R, Kang, C.
登録日2007-01-23
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of limonene synthase, a simple model for terpenoid cyclase catalysis.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3TB2
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BU of 3tb2 by Molmil
1-Cys peroxidoxin from Plasmodium Yoelli
分子名称: 1,2-ETHANEDIOL, 1-Cys peroxiredoxin, GLYCEROL, ...
著者Qiu, W, Artz, J.D, Vedadi, M, Sharma, S, Houston, S, Lew, J, Wasney, G, Amani, M, Xu, X, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Bochkarev, A, Structural Genomics Consortium (SGC)
登録日2011-08-04
公開日2011-10-19
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
5VZ2
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BU of 5vz2 by Molmil
Structure of ClpP from Staphylococcus aureus in complex with Acyldepsipeptide
分子名称: ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide
著者Griffith, E.C, Lee, R.E.
登録日2017-05-26
公開日2017-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
6IR8
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BU of 6ir8 by Molmil
Rice WRKY/DNA complex
分子名称: DNA (5'-D(P*GP*AP*TP*AP*TP*TP*TP*GP*AP*CP*CP*GP*GP*A)-3'), DNA (5'-D(P*TP*CP*CP*GP*GP*TP*CP*AP*AP*AP*TP*AP*TP*C)-3'), OsWRKY45, ...
著者Liu, J, Cheng, X, Wang, D.
登録日2018-11-12
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of dimerization and dual W-box DNA recognition by rice WRKY domain.
Nucleic Acids Res., 47, 2019
5W18
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BU of 5w18 by Molmil
Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide
分子名称: 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit
著者Lee, R.E, Griffith, E.C.
登録日2017-06-02
公開日2017-08-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
4FZA
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BU of 4fza by Molmil
Crystal structure of MST4-MO25 complex
分子名称: Calcium-binding protein 39, GLYCEROL, Serine/threonine-protein kinase MST4
著者Shi, Z.B, Zhou, Z.C.
登録日2012-07-06
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
2FDS
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BU of 2fds by Molmil
Crystal Structure of Plasmodium Berghei Orotidine 5'-monophosphate Decarboxylase (ortholog of Plasmodium falciparum PF10_0225)
分子名称: IODIDE ION, orotidine-monophosphate-decarboxylase
著者Qiu, W, Dong, A, Wasney, G, Vedadi, M, Lew, J, Kozieradski, I, Alam, Z, Melone, M, Weigelt, J, Sundstrom, M, Edwards, A, Arrowsmith, C, Hui, R, Gao, M, Bochkarev, A, Artz, J.D, Structural Genomics Consortium (SGC)
登録日2005-12-14
公開日2005-12-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
3TK3
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BU of 3tk3 by Molmil
Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole
分子名称: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R.
登録日2011-08-25
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8001 Å)
主引用文献Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme.
Febs J., 279, 2012
5XIW
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BU of 5xiw by Molmil
Crystal structure of T2R-TTL-Colchicine complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-04-27
公開日2018-04-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
5XP3
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BU of 5xp3 by Molmil
Crystal structure of apo T2R-TTL
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-05-31
公開日2017-10-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
6B69
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BU of 6b69 by Molmil
Beta-Lactamase, 500ms timepoint, mixed, shards crystal form
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, (2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, ...
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6D
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BU of 6b6d by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 100ms
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6A
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BU of 6b6a by Molmil
Beta-Lactamase, 2secs timepoint, mixed, shards crystal form
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B5Y
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BU of 6b5y by Molmil
Beta-lactamase, mixed with Ceftriaxone, 30ms time point, Shards crystal form
分子名称: Beta-lactamase, Ceftriaxone, PHOSPHATE ION
著者Pandey, S, Schmidt, M.
登録日2017-09-29
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
7W7F
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BU of 7w7f by Molmil
Cryo-EM structure of human NaV1.3/beta1/beta2-ICA121431
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jiang, D, Li, X.
登録日2021-12-04
公開日2022-04-06
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist.
Nat Commun, 13, 2022
7W77
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BU of 7w77 by Molmil
cryo-EM structure of human NaV1.3/beta1/beta2-bulleyaconitineA
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jiang, D, Li, X.
登録日2021-12-03
公開日2022-04-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist.
Nat Commun, 13, 2022
6B6B
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BU of 6b6b by Molmil
Beta-Lactamase, unmixed needles crystal form
分子名称: Beta-lactamase
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6C
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BU of 6b6c by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 30ms
分子名称: Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6E
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BU of 6b6e by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B68
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BU of 6b68 by Molmil
Beta-Lactamase, 100ms timepoint, mixed, shards crystal form
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018

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