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2B4K
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BU of 2b4k by Molmil
Acetobacter turbidans alpha-amino acid ester hydrolase complexed with phenylglycine
分子名称: Alpha-amino acid ester hydrolase, D-PHENYLGLYCINE, GLYCEROL
著者Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Williams, C, Wybenga, G, Janssen, D.B, Dijkstra, B.W.
登録日2005-09-26
公開日2005-12-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Acetobacter turbidans alpha-amino acid ester hydrolase: how a single mutation improves an antibiotic-producing enzyme.
J.Biol.Chem., 281, 2006
2PNG
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BU of 2png by Molmil
Type I rat fatty acid synthase acyl carrier protein (ACP) domain
分子名称: Fatty acid synthase (EC 2.3.1.85)
著者Ploskon, E.A, Arthur, C.J, Evans, S.E, Williams, C, Crosby, J, Crump, M.P.
登録日2007-04-24
公開日2007-06-05
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A Mammalian type I Fatty Acid synthase acyl carrier protein domain does not sequester acyl chains.
J.Biol.Chem., 283, 2008
2MVV
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BU of 2mvv by Molmil
Solution Structure of the 5-phenyl-3-oxo-pentyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide
著者Dong, X, Bailey, C, Williams, C, Crosby, J, Simpson, T.J, Willis, C.L, Crump, M.P.
登録日2014-10-15
公開日2015-10-21
実験手法SOLUTION NMR
主引用文献ACP-ligand recognition: Selection of derivatized aromatic biosynthetic intermediates
To be Published
2MVU
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BU of 2mvu by Molmil
Solution Structure of the 3,7-dioxo-octyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide
著者Dong, X, Bailey, C, Williams, C, Crosby, J, Simpson, T.J, Willis, C.L, Crump, M.P.
登録日2014-10-15
公開日2015-10-21
実験手法SOLUTION NMR
主引用文献ACP-ligand recognition: Selection of derivatized aromatic biosynthetic intermediates
To be Published
4C26
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BU of 4c26 by Molmil
Solution NMR structure of the HicA toxin from Burkholderia pseudomallei
分子名称: HICA
著者Butt, A, Higman, V.A, Williams, C, Crump, M.P, Hemsley, C, Harmer, N, Titball, R.W.
登録日2013-08-16
公開日2014-04-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Hica Toxin from Burkholderia Pseudomallei Has a Role in Persister Cell Formation.
Biochem.J., 459, 2014
2L22
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BU of 2l22 by Molmil
Mupirocin didomain ACP
分子名称: Mupirocin didomain Acyl Carrier Protein
著者Dong, X, Williams, C, Crump, M.P, Wattana-amorn, P.
登録日2010-08-10
公開日2012-02-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A conserved motif flags acyl carrier proteins for beta-branching in polyketide synthesis.
Nat.Chem.Biol., 9, 2013
2LPC
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BU of 2lpc by Molmil
NMR STRUCTURE of Bcl-XL
分子名称: Bcl-2-like protein 1
著者Wysoczanski, P, Mart, R.J, Loveridge, J.E, Williams, C, Whittaker, S.B.-M, Crump, M.P, Allemann, R.K.
登録日2012-02-09
公開日2012-03-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of a Photoswitchable Apoptosis Activating Bak Peptide Bound to Bcl-x(L).
J.Am.Chem.Soc., 134, 2012
2M68
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BU of 2m68 by Molmil
NMR solution structure ensemble of 3-4D mutant domain 11 IGF2R in complex with IGF2 (domain 11 structure only)
分子名称: Insulin-like growth factor 2 receptor variant
著者Strickland, M, Williams, C, Richards, E, Minnall, L, Crump, M.P, Frago, S, Hughes, J, Garner, L, Hoppe, H, Rezgui, D, Zaccheo, O.J, Prince, S.N, Hassan, A.B, Whittaker, S.
登録日2013-03-27
公開日2014-10-15
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist.
Proc.Natl.Acad.Sci.USA, 113, 2016
2JOL
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BU of 2jol by Molmil
Average NMR structure of the catalytic domain of guanine nucleotide exchange factor BopE from Burkholderia pseudomallei
分子名称: Putative G-nucleotide exchange factor
著者Wu, H, Upadhyay, A, Williams, C, Galyov, E.E, van den Elsen, J.M.H, Bagby, S.
登録日2007-03-14
公開日2007-03-27
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献The guanine-nucleotide-exchange factor BopE from Burkholderia pseudomallei adopts a compact version of the Salmonella SopE/SopE2 fold and undergoes a closed-to-open conformational change upon interaction with Cdc42
Biochem.J., 411, 2008
2JOK
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BU of 2jok by Molmil
NMR structure of the catalytic domain of guanine nucleotide exchange factor BopE from Burkholderia pseudomallei
分子名称: Putative G-nucleotide exchange factor
著者Wu, H, Upadhyay, A, Williams, C, Galyov, E.E, van den Elsen, J.M.H, Bagby, S.
登録日2007-03-14
公開日2007-09-18
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献The guanine-nucleotide-exchange factor BopE from Burkholderia pseudomallei adopts a compact version of the Salmonella SopE/SopE2 fold and undergoes a closed-to-open conformational change upon interaction with Cdc42
Biochem.J., 411, 2008
2KGD
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BU of 2kgd by Molmil
NMR Solution Structures of 3-oxo-butyl-ACP, an intermediate mimic from the actinorhodin polyketide synthase in Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide
著者Crump, M.P, Evans, S.E, Williams, C.
登録日2009-03-08
公開日2009-04-14
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2KG8
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BU of 2kg8 by Molmil
NMR Solution Structures of malonyl ACP from the actinorhodin polyketide synthase in Streptomyces coelicolor
分子名称: 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid, Actinorhodin polyketide synthase acyl carrier protein
著者Crump, M.P, Evans, S.E, Williams, C, Eliza, P.
登録日2009-03-06
公開日2009-04-14
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2KGA
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BU of 2kga by Molmil
NMR Solution Structures of hexanoyl ACP (a non natural intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
著者Crump, M.P, Evans, S.E, Williams, C.
登録日2009-03-07
公開日2009-04-14
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2KG9
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BU of 2kg9 by Molmil
NMR Solution Structures of butyryl-ACP (a non-polar, non pathway intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER
著者Crump, M.P, Evans, S.E, Williams, C.
登録日2009-03-07
公開日2009-04-14
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2KGE
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BU of 2kge by Molmil
NMR Solution Structures of 3,5-dioxohexyl ACP (a triketide mimic) from the actinorhodin polyketide synthase in Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
著者Crump, M.P, Evans, S.E, Williams, C.
登録日2009-03-08
公開日2009-04-14
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2KR5
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BU of 2kr5 by Molmil
Solution Structure of an Acyl Carrier Protein Domain from Fungal Type I Polyketide Synthase
分子名称: 4'-PHOSPHOPANTETHEINE, Aflatoxin biosynthesis polyketide synthase
著者Wattana-amorn, P, Williams, C, Ploskon, E, Cox, R.J, Simpson, T.J, Crosby, J, Crump, M.P.
登録日2009-12-03
公開日2010-03-02
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of an acyl carrier protein domain from a fungal type I polyketide synthase.
Biochemistry, 49, 2010
2M6T
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BU of 2m6t by Molmil
NMR solution structure ensemble of 3-4D mutant domain 11 IGF2R
分子名称: Insulin-like growth factor 2 receptor variant
著者Strickland, M, Williams, C, Richards, E, Minnall, L, Crump, M.P, Frago, S, Hughes, J, Garner, L, Hoppe, H, Rezgui, D, Zaccheo, O.J, Prince, S.N, Hassan, A.B, Whittaker, S.
登録日2013-04-09
公開日2014-10-15
最終更新日2016-06-01
実験手法SOLUTION NMR
主引用文献Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist.
Proc.Natl.Acad.Sci.USA, 113, 2016
2KGC
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BU of 2kgc by Molmil
NMR Solution Structures of octanoyl ACP (a non-natural intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor
分子名称: Actinorhodin polyketide synthase acyl carrier protein, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate
著者Crump, M.P, Evans, S.E, Williams, C.
登録日2009-03-08
公開日2009-04-14
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2LP8
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BU of 2lp8 by Molmil
SOLUTION STRUCTURE OF AN APOPTOSIS ACTIVATING PHOTOSWITCHABLE BAK PEPTIDE BOUND to BCL-XL
分子名称: 3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 1
著者Wysoczanski, P, Mart, R.J, Loveridge, J.E, Williams, C, Whittaker, S.B.-M, Crump, M.P, Allemann, R.K.
登録日2012-02-03
公開日2012-04-18
最終更新日2021-08-18
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of a Photoswitchable Apoptosis Activating Bak Peptide Bound to Bcl-x(L).
J.Am.Chem.Soc., 134, 2012
4ZMJ
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BU of 4zmj by Molmil
Crystal Structure of Ligand-Free BG505 SOSIP.664 HIV-1 Env Trimer
分子名称: 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 gp160, ...
著者Kwon, Y.D, Kwong, P.D.
登録日2015-05-04
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Crystal structure, conformational fixation and entry-related interactions of mature ligand-free HIV-1 Env.
Nat.Struct.Mol.Biol., 22, 2015
3FL4
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BU of 3fl4 by Molmil
P38 kinase crystal structure in complex with RO5634
分子名称: 6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Knapp, M.
登録日2008-12-18
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FSK
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BU of 3fsk by Molmil
P38 kinase crystal structure in complex with RO6257
分子名称: 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Bertrand, J, Takahara, P, Villasenor, A.
登録日2009-01-09
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
5Y08
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BU of 5y08 by Molmil
Solution structure of the apo doublet acyl carrier protein from prodigiosin biosynthesis
分子名称: 4-hydroxy-2,2'-bipyrrole-5-methanol synthase PigH
著者Wattana-amorn, P.
登録日2017-07-15
公開日2018-12-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure and Conformational Dynamics of a Doublet Acyl Carrier Protein from Prodigiosin Biosynthesis.
Biochemistry, 2021
7AH0
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BU of 7ah0 by Molmil
Crystal structure of the de novo designed two-heme binding protein, 4D2
分子名称: 4D2, PROTOPORPHYRIN IX CONTAINING FE
著者Hutchins, G.H, Parnell, A.E, Anderson, J.L.R.
登録日2020-09-23
公開日2021-10-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献An expandable, modular de novo protein platform for precision redox engineering.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CCR
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BU of 8ccr by Molmil
Crystal structure of the T19D mutant of the de novo diheme binding 4D2
分子名称: (2S)-2-hydroxybutanedioic acid, 4D2 (mutant T19D), CHLORIDE ION, ...
著者Barringer, R, Anderson, R.
登録日2023-01-27
公開日2023-08-09
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An expandable, modular de novo protein platform for precision redox engineering.
Proc.Natl.Acad.Sci.USA, 120, 2023

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