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6TPB
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BU of 6tpb by Molmil
NMR structure of the apo-form of Pseudomonas fluorescens CopC
分子名称: Putative copper resistance protein
著者Persson, K.C, Mayzel, M, Karlsson, B.G, Peciulyte, A, Olsson, L, Wittung Stafshede, P, Salomon Johansen, K, Horvath, I.
登録日2019-12-13
公開日2021-01-13
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献NMR structure of Pseudomonas fluorescens CopC
To Be Published
2OO7
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BU of 2oo7 by Molmil
Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (T179I/Q199R)
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
著者Counago, R, Wilson, C.J, Wu, G, Myers, J.C, Wittung-Stafshede, P, Shamoo, Y.
登録日2007-01-25
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (T179I/Q199R)
To be Published
4ARB
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BU of 4arb by Molmil
Mus musculus Acetylcholinesterase in complex with (S)-C5685 at 2.25 A resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ACETYLCHOLINESTERASE, ...
著者Berg, L, Niemiec, M.S, Qian, W, Andersson, C.D, WittungStafshede, P, Ekstrom, F, Linusson, A.
登録日2012-04-23
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
4ARA
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BU of 4ara by Molmil
Mus musculus Acetylcholinesterase in complex with (R)-C5685 at 2.5 A resolution.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ...
著者Berg, L, Niemiec, M.S, Qian, W, Andersson, C.D, WittungStafshede, P, Ekstrom, F, Linusson, A.
登録日2012-04-23
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
5F1R
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BU of 5f1r by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (C10)
分子名称: (3~{R})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, Listeriolysin regulatory protein
著者Begum, A, Grundstrom, C, Good, J.A.D, Andersson, C, ALmqvist, F, Johansson, J, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2015-11-30
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Attenuating Listeria monocytogenes Virulence by Targeting the Regulatory Protein PrfA.
Cell Chem Biol, 23, 2016
2QAJ
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BU of 2qaj by Molmil
Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (Q199R/G213E)
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
著者Counago, R, Wilson, C.J, Myers, J, Wu, G, Shamoo, Y.
登録日2007-06-15
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (Q199R/G213E)
To be Published
3F6S
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BU of 3f6s by Molmil
Desulfovibrio desulfuricans (ATCC 29577) oxidized flavodoxin alternate conformers
分子名称: FLAVIN MONONUCLEOTIDE, Flavodoxin
著者Guelker, M, Shamoo, Y.
登録日2008-11-06
公開日2009-06-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Pseudosymmetry, high copy number and twinning complicate the structure determination of Desulfovibrio desulfuricans (ATCC 29577) flavodoxin.
Acta Crystallogr.,Sect.D, 65, 2009
3F6R
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BU of 3f6r by Molmil
Desulfovibrio desulfuricans (ATCC 29577) oxidized flavodoxin
分子名称: FLAVIN MONONUCLEOTIDE, Flavodoxin
著者Guelker, M, Shamoo, Y.
登録日2008-11-06
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pseudosymmetry, high copy number and twinning complicate the structure determination of Desulfovibrio desulfuricans (ATCC 29577) flavodoxin.
Acta Crystallogr.,Sect.D, 65, 2009
4F1L
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BU of 4f1l by Molmil
Human Artd8 (Parp14, Bal2) - catalytic domain in complex with inhibitor A16(Z)
分子名称: (2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14
著者Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H.
登録日2012-05-07
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
4F1Q
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BU of 4f1q by Molmil
Human Artd8 (Parp14, Bal2) - catalytic domain in complex with A16(E)
分子名称: (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14
著者Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H.
登録日2012-05-07
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
4F0E
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BU of 4f0e by Molmil
Human ADP-RIBOSYLTRANSFERASE 7 (ARTD7/PARP15), CATALYTIC DOMAIN IN COMPLEX WITH STO1102
分子名称: 8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one, Poly [ADP-ribose] polymerase 15
著者Karlberg, T, Andersson, C.D, Lindgren, A, Thorsell, A.G, Ekblad, T, Spjut, S, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H.
登録日2012-05-04
公開日2012-09-05
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
2ORI
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BU of 2ori by Molmil
Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (A193V/Q199R/)
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
著者Counago, R, Shamoo, Y, Wilson, C.J, Wu, G, Myers, J.
登録日2007-02-02
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (A193V/Q199R/)
To be Published
2OSB
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BU of 2osb by Molmil
Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (Q16L/Q199R/)
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
著者Myers, J, Counago, R, Wilson, C.J, Wu, G, Shamoo, Y.
登録日2007-02-05
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (Q16L/Q199R/)
To be Published
2P3S
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BU of 2p3s by Molmil
Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (G214R/Q199R)
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
著者Counago, R, Wilson, C.J, Myers, J, Wu, G, Shamoo, Y.
登録日2007-03-09
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (G214R/Q199R)
To be Published
6EUT
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BU of 6eut by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK67)
分子名称: (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-10-31
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EUZ
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BU of 6euz by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37)
分子名称: (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ...
著者Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-10-31
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EXM
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BU of 6exm by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202)
分子名称: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ...
著者Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-11-08
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EXL
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BU of 6exl by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - folded HTH motif
分子名称: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ...
著者Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-11-08
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EUU
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BU of 6euu by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK29)
分子名称: (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ...
著者Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-10-31
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EV0
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BU of 6ev0 by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (AC129)
分子名称: ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, ...
著者Begum, A, Hall, M, Grundstrom, C, Cairns, A.G, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-10-31
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EXK
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BU of 6exk by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - unfolded HTH motif
分子名称: ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION, ...
著者Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-11-08
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018

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