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PDB: 115 件
3CR0
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BU of 3cr0 by Molmil
Wee1 kinase complex with inhibitor PD259_809
分子名称: 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione, CHLORIDE ION, GLYCEROL, ...
著者Squire, C.J, Baker, E.N.
登録日2008-04-03
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural determinants of Wee1 inhibitor selectivity
To be Published
3FIG
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BU of 3fig by Molmil
Crystal Structure of Leucine-bound LeuA from Mycobacterium tuberculosis
分子名称: 2-isopropylmalate synthase, GLYCEROL, LEUCINE, ...
著者Koon, N, Squire, C.J, Baker, E.N.
登録日2008-12-11
公開日2008-12-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of LeuA from Mycobacterium tuberculosis, a key enzyme in leucine biosynthesis.
Proc.Natl.Acad.Sci.USA, 101, 2004
8G8P
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BU of 8g8p by Molmil
F420-2/GTP(GDP) complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus
分子名称: COENZYME F420, Coenzyme F420:L-glutamate ligase, GUANOSINE-5'-DIPHOSPHATE, ...
著者Bashiri, G, Squire, C.J.
登録日2023-02-18
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Poly-gamma-glutamylation of biomolecules.
Nat Commun, 15, 2024
4NI6
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BU of 4ni6 by Molmil
Repeat domain 1 of Clostridium perfringens CPE0147
分子名称: Putative surface anchored protein
著者Kwon, H, Squire, C.J, Young, P.G, Baker, E.N.
登録日2013-11-05
公開日2013-12-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Autocatalytically generated Thr-Gln ester bond cross-links stabilize the repetitive Ig-domain shaft of a bacterial cell surface adhesin.
Proc.Natl.Acad.Sci.USA, 111, 2014
7KB1
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BU of 7kb1 by Molmil
Complex of O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima and a key reaction intermediate
分子名称: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, MAGNESIUM ION, O-acetyl-L-homoserine sulfhydrylase, ...
著者Brewster, J.L, Pachl, P, Squire, C, Selmer, M, Patrick, W.M.
登録日2020-10-01
公開日2021-06-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis.
J.Biol.Chem., 296, 2021
8DJ2
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BU of 8dj2 by Molmil
Intramolecular ester bond-containing repeat domain from Chlamydia trachomatis adhesin
分子名称: Adhesin, CALCIUM ION, GLYCEROL
著者Choksi, Z.N, Young, P.G, Squire, C.J.
登録日2022-06-29
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Intramolecular ester bond-containing repeat domain from Chlamydia trachomatis adhesin
To Be Published
5E5T
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BU of 5e5t by Molmil
Quasi-racemic snakin-1 in P1 after radiation damage
分子名称: 1,2-ETHANEDIOL, D- snakin-1, FORMIC ACID, ...
著者Yeung, H, Squire, C.J, Yosaatmadja, Y, Panjikar, S, Baker, E.N, Harris, P.W.R, Brimble, M.A.
登録日2015-10-09
公開日2016-05-18
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (1.572 Å)
主引用文献Radiation Damage and Racemic Protein Crystallography Reveal the Unique Structure of the GASA/Snakin Protein Superfamily.
Angew.Chem.Int.Ed.Engl., 55, 2016
1O0K
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BU of 1o0k by Molmil
Structure of the First Parallel DNA Quadruplex-drug Complex
分子名称: 5'-D(*TP*GP*GP*GP*GP*T)-3', DAUNOMYCIN, SODIUM ION
著者Clark, G.R, Pytel, P.D, Squire, C.J, Neidle, S.
登録日2003-02-22
公開日2003-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structure of the First Parallel DNA Quadruplex-drug Complex
J.Am.Chem.Soc., 125, 2003
7KB0
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BU of 7kb0 by Molmil
O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima with pyridoxal-5-phosphate (PLP) bound in the internal aldimine state
分子名称: O-acetyl-L-homoserine sulfhydrylase
著者Brewster, J.L, Pachl, P, Squire, C, Selmer, M, Patrick, W.M.
登録日2020-10-01
公開日2021-06-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis.
J.Biol.Chem., 296, 2021
5E5Q
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BU of 5e5q by Molmil
Racemic snakin-1 in P21/c
分子名称: Snakin-1
著者Yeung, H, Squire, C.J, Yosaatmadja, Y, Panjikar, S, Baker, E.N, Harris, P.W.R, Brimble, M.A.
登録日2015-10-09
公開日2016-05-18
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Radiation Damage and Racemic Protein Crystallography Reveal the Unique Structure of the GASA/Snakin Protein Superfamily.
Angew.Chem.Int.Ed.Engl., 55, 2016
7ULD
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BU of 7uld by Molmil
GTP complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus
分子名称: CARBONATE ION, Coenzyme F420:L-glutamate ligase, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Bashiri, G, Squire, C.J.
登録日2022-04-04
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A Universal Mechanism for Poly-glutamylation
To Be Published
5E5Y
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BU of 5e5y by Molmil
Quasi-racemic snakin-1 in P1 before radiation damage
分子名称: 1,2-ETHANEDIOL, D- snakin-1, FORMIC ACID, ...
著者Yeung, H, Squire, C.J, Yosaatmadja, Y, Panjikar, S, Baker, E.N, Harris, P.W.R, Brimble, M.A.
登録日2015-10-09
公開日2016-05-18
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (1.506 Å)
主引用文献Radiation Damage and Racemic Protein Crystallography Reveal the Unique Structure of the GASA/Snakin Protein Superfamily.
Angew.Chem.Int.Ed.Engl., 55, 2016
7ULE
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BU of 7ule by Molmil
F420-1/GDP complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus
分子名称: (2~{S})-2-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanedioic acid, Coenzyme F420:L-glutamate ligase, GUANOSINE-5'-DIPHOSPHATE, ...
著者Bashiri, G, Squire, C.J.
登録日2022-04-04
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Universal Mechanism for Poly-glutamylation
To Be Published
7ULF
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BU of 7ulf by Molmil
l-glutamate/GTP complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus
分子名称: Coenzyme F420:L-glutamate ligase, GAMMA-L-GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Bashiri, G, Squire, C.J.
登録日2022-04-04
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献A Universal Mechanism for Poly-glutamylation
To Be Published
2O7V
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BU of 2o7v by Molmil
Carboxylesterase AeCXE1 from Actinidia eriantha covalently inhibited by paraoxon
分子名称: CXE carboxylesterase, DIETHYL PHOSPHONATE
著者Ileperuma, N.R, Marshall, S.D, Squire, C.J, Baker, H.M, Oakeshott, J.G, Russell, R.J, Plummer, K.M, Newcomb, R.D, Baker, E.N.
登録日2006-12-11
公開日2007-02-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献High-Resolution Crystal Structure of Plant Carboxylesterase AeCXE1, from Actinidia eriantha, and Its Complex with a High-Affinity Inhibitor Paraoxon.
Biochemistry, 46, 2007
2O7R
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BU of 2o7r by Molmil
Plant carboxylesterase AeCXE1 from Actinidia eriantha with acyl adduct
分子名称: CXE carboxylesterase, PROPYL ACETATE
著者Ileperuma, N.R, Marshall, S.D, Squire, C.J, Baker, H.M, Oakeshott, J.G, Russell, R.J, Plummer, K.M, Newcomb, R.D, Baker, E.N.
登録日2006-12-11
公開日2007-02-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-Resolution Crystal Structure of Plant Carboxylesterase AeCXE1, from Actinidia eriantha, and Its Complex with a High-Affinity Inhibitor Paraoxon.
Biochemistry, 46, 2007
3HPX
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BU of 3hpx by Molmil
Crystal structure of Mycobacterium tuberculosis LeuA active site domain 1-425 (truncation mutant delta:426-644)
分子名称: 2-isopropylmalate synthase, GLYCEROL, NICKEL (II) ION
著者Koon, N, Squire, C.J, Baker, E.N.
登録日2009-06-05
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Removal of the C-terminal regulatory domain of alpha-isopropylmalate synthase disrupts functional substrate binding
Biochemistry, 51, 2012
8EVO
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BU of 8evo by Molmil
Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with inhibitor FG2216
分子名称: Alpha-ketoglutarate-dependent sulfate ester dioxygenase, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, NICKEL (II) ION
著者Juan, T.-J, Leung, I, Squire, C.J.
登録日2022-10-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with inhibitors NOG and FG2216
To Be Published
8EVN
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BU of 8evn by Molmil
Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with N-oxalylglycine (NOG)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-ketoglutarate-dependent sulfate ester dioxygenase, N-OXALYLGLYCINE, ...
著者Juan, T.-J, Leung, I, Squire, C.J.
登録日2022-10-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.644 Å)
主引用文献Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with inhibitors NOG and FG2216
To Be Published
8F90
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BU of 8f90 by Molmil
Intramolecular ester bond-containing repeat domain 2 from Suipraoptans intestinalis adhesin
分子名称: Adhesin, MAGNESIUM ION
著者Jin, S, Young, P.G, Squire, C.J.
登録日2022-11-22
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Intramolecular ester bond-containing repeat domain from Suipraoptans intestinalis adhesin
To Be Published
1SR9
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BU of 1sr9 by Molmil
Crystal Structure of LeuA from Mycobacterium tuberculosis
分子名称: 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, CHLORIDE ION, ...
著者Koon, N, Squire, C.J, Baker, E.N.
登録日2004-03-22
公開日2004-05-18
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of LeuA from Mycobacterium tuberculosis, a key enzyme in leucine biosynthesis
Proc.Natl.Acad.Sci.USA, 101, 2004
8FHA
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BU of 8fha by Molmil
Intramolecular ester bond-containing repeat domain 1 from Suipraoptans intestinalis adhesin
分子名称: Adhesin, CALCIUM ION, SODIUM ION
著者Jin, S, Young, P.G, Squire, C.J.
登録日2022-12-13
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Intramolecular ester bond-containing repeat domain from Suipraoptans intestinalis adhesin
To Be Published
448D
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BU of 448d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
分子名称: 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Clark, G.R, Squire, C.J, Martin, R.F, White, J.
登録日1999-01-20
公開日2000-02-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
8F9L
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BU of 8f9l by Molmil
Intramolecular ester bond-containing repeat domain from Gemella massiliensis adhesin
分子名称: Adhesin, SULFATE ION
著者Jin, S, Young, P.G, Squire, C.J.
登録日2022-11-23
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.788 Å)
主引用文献Intramolecular ester bond-containing repeat domain from Gemella massiliensis adhesin
To Be Published
3HQ1
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BU of 3hq1 by Molmil
Crystal structure of Mycobacterium tuberculosis LeuA complexed with citrate and Mn2+
分子名称: 2-isopropylmalate synthase, CHLORIDE ION, CITRATE ANION, ...
著者Koon, N, Squire, C.J, Baker, E.N.
登録日2009-06-05
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Probing the active site of M. tuberculosis LeuA
To be Published

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件を2024-07-31に公開中

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