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4TPS
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BU of 4tps by Molmil
Sporulation Inhibitor of DNA Replication, SirA, in complex with Domain I of DnaA
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, Chromosomal replication initiator protein DnaA, ...
著者Jameson, K.H, Turkenburg, J.P, Fogg, M.J, Grahl, A, Wilkinson, A.J.
登録日2014-06-09
公開日2014-07-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and interactions of the Bacillus subtilis sporulation inhibitor of DNA replication, SirA, with domain I of DnaA.
Mol.Microbiol., 93, 2014
4PEL
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BU of 4pel by Molmil
S1C mutant of Penicillin G acylase from Kluyvera citrophila
分子名称: CALCIUM ION, Penicillin G acylase subunit alpha, Penicillin G acylase subunit beta
著者Ramasamy, S, Chand, D, Varshney, N.K, Brannigan, J.A, Wilkinson, A.J, Suresh, C.G.
登録日2014-04-24
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Penicillin G acylase
To Be Published
3QQ6
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BU of 3qq6 by Molmil
The N-terminal DNA binding domain of SinR from Bacillus subtilis
分子名称: HTH-type transcriptional regulator sinR
著者Colledge, V, Fogg, M.J, Levdikov, V.M, Dodson, E.J, Wilkinson, A.J.
登録日2011-02-15
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Organisation of SinR, the Master Regulator of Biofilm Formation in Bacillus subtilis.
J.Mol.Biol., 411, 2011
3T91
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BU of 3t91 by Molmil
Structure of the Phosphatase Domain of the Cell Fate Determinant SpoIIE from Bacillus subtilis
分子名称: MANGANESE (II) ION, Stage II sporulation protein E, alpha-D-mannopyranose, ...
著者Levdikov, V.M, Blagova, E.V, Wilkinson, A.J.
登録日2011-08-02
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure of the phosphatase domain of the cell fate determinant SpoIIE from Bacillus subtilis.
J.Mol.Biol., 415, 2012
3TGF
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BU of 3tgf by Molmil
THE SOLUTION STRUCTURE OF HUMAN TRANSFORMING GROWTH FACTOR ALPHA
分子名称: TRANSFORMING GROWTH FACTOR-ALPHA
著者Harvey, T.S, Wilkinson, A.J, Tappin, M.J, Cooke, R.M, Campbell, I.D.
登録日1991-01-23
公開日1993-04-15
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献The solution structure of human transforming growth factor alpha.
Eur.J.Biochem., 198, 1991
1XOC
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BU of 1xoc by Molmil
The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide.
分子名称: Nonapeptide VDSKNTSSW, Oligopeptide-binding protein appA, ZINC ION
著者Levdikov, V.M, Blagova, E.V, Brannigan, J.A, Wright, L, Vagin, A.A, Wilkinson, A.J.
登録日2004-10-06
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide.
J.Mol.Biol., 345, 2005
3T9Q
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BU of 3t9q by Molmil
Structure of the Phosphatase Domain of the Cell Fate Determinant SpoIIE from Bacillus subtilis (Mn presoaked)
分子名称: MANGANESE (II) ION, Stage II sporulation protein E, beta-D-gulopyranose
著者Levdikov, V.M, Blagova, E.V, Wilkinson, A.J.
登録日2011-08-03
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure of the phosphatase domain of the cell fate determinant SpoIIE from Bacillus subtilis.
J.Mol.Biol., 415, 2012
3TUF
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BU of 3tuf by Molmil
Structure of the SpoIIQ-SpoIIIAH pore forming complex.
分子名称: Stage II sporulation protein Q, Stage III sporulation protein AH
著者Levdikov, V.M, Blagova, E.V, Wilkinson, A.J.
登録日2011-09-16
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure of components of an intercellular channel complex in sporulating Bacillus subtilis.
Proc.Natl.Acad.Sci.USA, 109, 2012
6T9M
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BU of 6t9m by Molmil
Crystal structure of the Chitinase Domain of the Spore Coat Protein CotE from Clostridium difficile
分子名称: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Peptide in active site, ...
著者Whittingham, J.L, Dodson, E.J, Wilkinson, A.J.
登録日2019-10-28
公開日2020-07-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structures of the GH18 domain of the bifunctional peroxiredoxin-chitinase CotE from Clostridium difficile.
Acta Crystallogr.,Sect.F, 76, 2020
6TSB
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BU of 6tsb by Molmil
Crystal structure of the Chitinase Domain of the Spore Coat Protein CotE from Clostridium difficile
分子名称: DI(HYDROXYETHYL)ETHER, Peroxiredoxin
著者Whittingham, J.L, Dodson, E.J, Wilkinson, A.J.
登録日2019-12-20
公開日2020-06-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the GH18 domain of the bifunctional peroxiredoxin-chitinase CotE from Clostridium difficile.
Acta Crystallogr.,Sect.F, 76, 2020
4CGL
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BU of 4cgl by Molmil
Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor
分子名称: (3R)-3-azanyl-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
著者Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J.
登録日2013-11-25
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
4AC6
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BU of 4ac6 by Molmil
Corynebacterium glutamicum AcnR AU derivative structure
分子名称: GOLD ION, HTH-TYPE TRANSCRIPTIONAL REPRESSOR ACNR
著者Garcia-Nafria, J, Baumgart, M, Turkenburg, J.P, Wilkinson, A.J, Bott, M, Wilson, K.S.
登録日2011-12-14
公開日2012-12-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Crystal and Solution Studies Reveal that the Transcriptional Regulator Acnr of Corynebacterium Glutamicum is Regulated by Citrate:Mg2+ Binding to a Non-Canonical Pocket.
J.Biol.Chem., 288, 2013
4CGN
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BU of 4cgn by Molmil
Leishmania major N-myristoyltransferase in complex with a piperidinylindole inhibitor
分子名称: 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)ethanamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
著者Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J.
登録日2013-11-25
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
4A95
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BU of 4a95 by Molmil
Plasmodium vivax N-myristoyltransferase with quinoline inhibitor
分子名称: 2-oxopentadecyl-CoA, 3-(3-BUTYL-6-METHOXY-2-METHYL-QUINOLIN-4-YL)SULFANYLPROPANENITRILE, CHLORIDE ION, ...
著者Goncalves, V, Brannigan, J.A, Whalley, D, Ansell, K.H, Saxty, B, Holder, A.A, Wilkinson, A.J, Tate, E.W, Leatherbarrow, R.J.
登録日2011-11-24
公開日2012-06-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Plasmodium Vivax N-Myristoyltransferase Inhibitors: Screening, Synthesis, and Structural Characterization of Their Binding Mode.
J.Med.Chem., 55, 2012
4B14
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BU of 4b14 by Molmil
Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 26)
分子名称: 2-oxopentadecyl-CoA, 3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate, CHLORIDE ION, ...
著者Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
登録日2012-07-06
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
4AXV
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BU of 4axv by Molmil
Biochemical and structural characterization of the MpaA amidase as part of a conserved scavenging pathway for peptidoglycan derived peptides in gamma-proteobacteria
分子名称: 1,2-ETHANEDIOL, MPAA, ZINC ION
著者Maqbool, A, Herve, M, Mengin-Lecreulx, D, Dodson, E, Wilkinson, A.J, Thomas, G.H.
登録日2012-06-14
公開日2012-09-26
最終更新日2020-03-04
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Mpaa is a Murein-Tripeptide-Specific Zinc Carboxypeptidase that Functions as Part of a Catabolic Pathway for Peptidoglycan Derived Peptides in Gamma-Proteobacteria.
Biochem.J., 448, 2012
4B11
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BU of 4b11 by Molmil
Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 13)
分子名称: 2-oxopentadecyl-CoA, 3-methyl-N-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide, CHLORIDE ION, ...
著者Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
登録日2012-07-06
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
5G21
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BU of 5g21 by Molmil
Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 26).
分子名称: ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
著者Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
登録日2016-04-06
公開日2017-02-15
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5G1Z
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BU of 5g1z by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 1)
分子名称: 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
登録日2016-04-06
公開日2017-02-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5G22
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BU of 5g22 by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 26)
分子名称: 2-oxopentadecyl-CoA, CHLORIDE ION, ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), ...
著者Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
登録日2016-04-06
公開日2017-02-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5G20
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Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 19).
分子名称: 6-(BENZYLOXY)-4-(ETHYLSULFANYL)-3-[(MORPHOLIN-4-YL), DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
著者Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
登録日2016-04-06
公開日2017-02-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
2D30
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BU of 2d30 by Molmil
Crystal Structure of Cytidine Deaminase Cdd-2 (BA4525) from Bacillus Anthracis at 2.40A Resolution
分子名称: ZINC ION, cytidine deaminase
著者Levdikov, V.M, Blagova, E.V, Fogg, M.J, Brannigan, J.A, Moroz, O.V, Wilkinson, A.J, Wilson, K.S, Structural Proteomics in Europe (SPINE)
登録日2005-09-21
公開日2006-09-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Cytidine Deaminase Cdd-2 (BA4525) from Bacillus Anthracis at 2.40A Resolution
To be Published
5O48
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P.vivax NMT with an aminomethylindazole inhibitor bound
分子名称: 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, 2-oxopentadecyl-CoA, CHLORIDE ION, ...
著者Brannigan, J.A, Wilkinson, A.J.
登録日2017-05-26
公開日2018-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
5O6H
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BU of 5o6h by Molmil
Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-917
分子名称: 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Brannigan, J.A, Wilkinson, A.J.
登録日2017-06-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
2BZB
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BU of 2bzb by Molmil
NMR Solution Structure of a protein aspartic acid phosphate phosphatase from Bacillus Anthracis
分子名称: CONSERVED DOMAIN PROTEIN
著者Grenha, R, Rzechorzek, N.J, Brannigan, J.A, Ab, E, Folkers, G.E, De Jong, R.N, Diercks, T, Wilkinson, A.J, Kaptein, R, Wilson, K.S.
登録日2005-08-14
公開日2006-09-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural characterization of Spo0E-like protein-aspartic acid phosphatases that regulate sporulation in bacilli.
J. Biol. Chem., 281, 2006

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