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2OI5
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BU of 2oi5 by Molmil
E. coli GlmU- Complex with UDP-GlcNAc and Acetyl-CoA
分子名称: ACETYL COENZYME *A, Bifunctional protein glmU, MAGNESIUM ION, ...
著者Olsen, L.R, Vetting, M.W, Roderick, S.L.
登録日2007-01-10
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of the E. coli bifunctional GlmU acetyltransferase active site with substrates and products.
Protein Sci., 16, 2007
2PXZ
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BU of 2pxz by Molmil
E. coli phosphoenolpyruvate carboxykinase (PEPCK) complexed with ATP, Mg2+, Mn2+, carbon dioxide and oxaloacetate
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CARBON DIOXIDE, MAGNESIUM ION, ...
著者Delbaere, L.T.J, Cotelesage, J.J.H, Goldie, H.
登録日2007-05-14
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal structure of E. coli phosphoenolpyruvate carboxykinase (PEPCK) complexed with ATP, Mg2+, Mn2+, carbon dioxide and oxaloacetate
To be Published
4OVF
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BU of 4ovf by Molmil
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
7MR1
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BU of 7mr1 by Molmil
Cryo-EM structure of RecBCD with undocked RecBNuc and flexible RecD C-terminus
分子名称: RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, RecBCD enzyme subunit RecD
著者Hao, L, Zhang, R, Lohman, T.M.
登録日2021-05-07
公開日2021-07-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Heterogeneity in E. coli RecBCD Helicase-DNA Binding and Base Pair Melting.
J.Mol.Biol., 433, 2021
7MR0
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BU of 7mr0 by Molmil
Cryo-EM structure of RecBCD with docked RecBNuc and flexible RecD
分子名称: RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, RecBCD enzyme subunit RecD
著者Hao, L, Zhang, R, Lohman, T.M.
登録日2021-05-07
公開日2021-07-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Heterogeneity in E. coli RecBCD Helicase-DNA Binding and Base Pair Melting.
J.Mol.Biol., 433, 2021
4OVH
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BU of 4ovh by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-(carboxymethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
7MR2
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BU of 7mr2 by Molmil
Cryo-EM structure of RecBCD with undocked RecBNuc and flexible RecD
分子名称: RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, RecBCD enzyme subunit RecD
著者Hao, L, Zhang, R, Lohman, T.M.
登録日2021-05-07
公開日2021-07-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Heterogeneity in E. coli RecBCD Helicase-DNA Binding and Base Pair Melting.
J.Mol.Biol., 433, 2021
4PNW
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BU of 4pnw by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((S)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
6UNN
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BU of 6unn by Molmil
The crystal structure of 4-methoxycinnamic acid-bound CYP199A4
分子名称: (E)-3-(4-methoxyphenyl)acrylic acid, CHLORIDE ION, CYP199A4, ...
著者Doherty, Z.D, Bell, S.G, Bruning, J.
登録日2019-10-13
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献The crystal structure of 4-methoxycinnamic acid-bound CYP199A4
To Be Published
3IP2
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BU of 3ip2 by Molmil
Crystal structure of red fluorescent protein Neptune at pH 7.0
分子名称: Neptune red fluorescent protein
著者Lin, M.Z, McKeown, M.R, Ng, H.L, Aguilera, T.A, Shaner, N.C, Ma, W, Adams, S.R, Campbell, R.E, Alber, T, Tsien, R.Y.
登録日2009-08-15
公開日2009-12-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Autofluorescent proteins with excitation in the optical window for intravital imaging in mammals.
Chem.Biol., 16, 2009
4OVG
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BU of 4ovg by Molmil
E. coli sliding clamp in complex with (R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4PNV
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BU of 4pnv by Molmil
E. coli sliding clamp apo-crystal in P21 space group with larger cell dimensions
分子名称: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4PNU
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BU of 4pnu by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((R)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
3U0N
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BU of 3u0n by Molmil
Crystal structure of the engineered fluorescent protein mRuby, crystal form 2
分子名称: SULFATE ION, mRuby
著者Akerboom, J, Looger, L.L, Schreiter, E.R.
登録日2011-09-28
公開日2012-10-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics.
Front Mol Neurosci, 6, 2013
3U0L
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BU of 3u0l by Molmil
Crystal structure of the engineered fluorescent protein mRuby, crystal form 1, pH 4.5
分子名称: ACETATE ION, mRuby
著者Akerboom, J, Looger, L.L, Schreiter, E.R.
登録日2011-09-28
公開日2012-10-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics.
Front Mol Neurosci, 6, 2013
3U0M
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BU of 3u0m by Molmil
Crystal structure of the engineered fluorescent protein mRuby, crystal form 1, pH 8.5
分子名称: mRuby
著者Akerboom, J, Looger, L.L, Schreiter, E.R.
登録日2011-09-28
公開日2012-10-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics.
Front Mol Neurosci, 6, 2013
6GXA
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BU of 6gxa by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 2
分子名称: (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-06-27
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
1XEM
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BU of 1xem by Molmil
High Resolution Crystal Structure of Escherichia coli Zinc- Peptide Deformylase bound to formate
分子名称: FORMIC ACID, Peptide deformylase, ZINC ION
著者Jain, R, Hao, B, Liu, R.-P, Chan, M.K.
登録日2004-09-10
公開日2005-03-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structures of E. coli peptide deformylase bound to formate: insight into the preference for Fe2+ over Zn2+ as the active site metal
J.Am.Chem.Soc., 127, 2005
5FNK
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BU of 5fnk by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
分子名称: (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, ACETIC ACID, CARBONIC ANHYDRASE 2, ...
著者Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
登録日2015-11-15
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FNL
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BU of 5fnl by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
分子名称: (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
著者Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
登録日2015-11-15
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance, and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5EHV
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BU of 5ehv by Molmil
human carbonic anhydrase II in complex with ligand
分子名称: (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ...
著者Ren, B.
登録日2015-10-29
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.208 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
6HOR
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BU of 6hor by Molmil
Human protein kinase CK2 alpha in complex with feruloylmethane
分子名称: (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
著者Battistutta, R, Lolli, G.
登録日2018-09-18
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
5FLS
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BU of 5fls by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
分子名称: (E)-3-(4-chlorophenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
著者Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
登録日2015-10-28
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
6JC8
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BU of 6jc8 by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Glu
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, CrmG, GLYCEROL
著者Xu, J, Liu, J.
登録日2019-01-28
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
5EH8
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BU of 5eh8 by Molmil
human carbonic anhydrase II in complex with ligand
分子名称: (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ...
著者Ren, B.
登録日2015-10-28
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.381 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016

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