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8QK2
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Structure of K.pneumoniae LpxH in complex with EBL-3339
分子名称: MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase, ~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2023-09-14
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QJZ
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Crystal structure of E. coli LpxH in complex with lipid X
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2023-09-14
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QKA
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Structure of K. pneumoniae LpxH in complex with JEDI-852
分子名称: 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2023-09-14
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
1NWW
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Limonene-1,2-epoxide hydrolase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HEPTANAMIDE, Limonene-1,2-epoxide hydrolase
著者Arand, M, Hallberg, B.M, Zou, J, Bergfors, T, Oesch, F, van der Werf, M.J, de Bont, J.A.M, Jones, T.A, Mowbray, S.L.
登録日2003-02-07
公開日2003-06-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of Rhodococcus erythropolis limonene-1,2-epoxide hydrolase reveals a novel active site
EMBO J., 22, 2003
2CBS
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BU of 2cbs by Molmil
CELLULAR RETINOIC ACID BINDING PROTEIN II IN COMPLEX WITH A SYNTHETIC RETINOIC ACID (RO-13 6307)
分子名称: 3-METHYL-7-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL) -OCTA-2,4,6-TRIENOIC ACID, PROTEIN (CRABP-II)
著者Chaudhuri, B, Kleywegt, G.J, Bergfors, T, Jones, T.A.
登録日1999-02-22
公開日1999-12-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of cellular retinoic acid binding proteins I and II in complex with synthetic retinoids.
Acta Crystallogr.,Sect.D, 55, 1999
2CBR
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CELLULAR RETINOIC ACID BINDING PROTEIN I IN COMPLEX WITH A RETINOBENZOIC ACID (AM80)
分子名称: 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid, PROTEIN (CRABP-I)
著者Chaudhuri, B, Kleywegt, G.J, Bergfors, T, Jones, T.A.
登録日1999-02-22
公開日1999-12-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of cellular retinoic acid binding proteins I and II in complex with synthetic retinoids.
Acta Crystallogr.,Sect.D, 55, 1999
3CAI
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BU of 3cai by Molmil
Crystal structure of Mycobacterium tuberculosis Rv3778c protein
分子名称: POSSIBLE AMINOTRANSFERASE
著者Covarrubias, A.S, Larsson, A.M, Jones, T.A, Bergfors, T, Mowbray, S.L, Unge, T.
登録日2008-02-20
公開日2008-03-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and biochemical function studies of Mycobacterium tuberculosis essential protein Rv3778c
To be published
2D1F
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Structure of Mycobacterium tuberculosis threonine synthase
分子名称: PYRIDOXAL-5'-PHOSPHATE, Threonine synthase
著者Covarrubias, A.S, Bergfors, T, Mannerstedt, K, Oscarson, S, Jones, T.A, Mowbray, S.L, Hogbom, M.
登録日2005-08-20
公開日2006-09-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural, biochemical, and in vivo investigations of the threonine synthase from Mycobacterium tuberculosis.
J.Mol.Biol., 381, 2008
1HB8
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BU of 1hb8 by Molmil
Structure of bovine Acyl-CoA binding protein in tetragonal crystal form
分子名称: ACYL-COA BINDING PROTEIN, SULFATE ION
著者Zou, J.Y, Kleywegt, G.J, Bergfors, T, Knudsen, J, Jones, T.A.
登録日2001-04-12
公開日2002-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binding Site Differences Revealed by Crystal Structures of Plasmodium Falciparum and Bovine Acyl-Coa Binding Protein
J.Mol.Biol., 309, 2001
1HB6
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Structure of bovine Acyl-CoA binding protein in orthorhombic crystal form
分子名称: ACYL-COA BINDING PROTEIN, CADMIUM ION
著者Zou, J.Y, Kleywegt, G.J, Bergfors, T, Knudsen, J, Jones, T.A.
登録日2001-04-12
公開日2002-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binding Site Differences Revealed by Crystal Structures of Plasmodium Falciparum and Bovine Acyl-Coa Binding Protein
J.Mol.Biol., 309, 2001
2CKS
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BU of 2cks by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THERMOBIFIDA FUSCA ENDOGLUCANASE CEL5A (E5)
分子名称: BENZAMIDINE, ENDOGLUCANASE E-5, SODIUM ION, ...
著者Berglund, G.I, Gualfetti, P.J, Requadt, C, Gross, L.S, Bergfors, T, Shaw, A, Saldajeno, M, Mitchinson, C, Sandgren, M.
登録日2006-04-21
公開日2007-05-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase Cel5A in Complex with Cellotetraose
To be Published
2CKR
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BU of 2ckr by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THERMOBIFIDA FUSCA ENDOGLUCANASE CEL5A (E5) E355Q IN COMPLEX WITH CELLOTETRAOSE
分子名称: BENZAMIDINE, ENDOGLUCANASE E-5, SODIUM ION, ...
著者Berglund, G.I, Gualfetti, P.J, Requadt, C, Gross, L.S, Bergfors, T, Shaw, A, Saldajeno, M, Mitchinson, C, Sandgren, M.
登録日2006-04-21
公開日2007-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase Cel5A in Complex with Cellotetraose
To be Published
4A03
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BU of 4a03 by Molmil
Crystal Structure of Mycobacterium tuberculosis DXR in complex with the antibiotic FR900098 and cofactor NADPH
分子名称: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, GLYCEROL, ...
著者Bjorkelid, C, Bergfors, T, Jones, T.A.
登録日2011-09-07
公開日2012-01-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Studies on Mycobacterium Tuberculosis Dxr in Complex with the Antibiotic Fr-900098.
Acta Crystallogr.,Sect.D, 68, 2012
1NU3
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Limonene-1,2-epoxide hydrolase in complex with valpromide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-PROPYLPENTANAMIDE, limonene-1,2-epoxide hydrolase
著者Arand, M, Hallberg, B.M, Zou, J, Bergfors, T, Oesch, F, van der Werf, M.J, de Bont, J.A.M, Jones, T.A, Mowbray, S.L.
登録日2003-01-30
公開日2003-06-10
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of Rhodococcus erythropolis limonene-1,2-epoxide hydrolase reveals a novel active site
EMBO J., 22, 2003
1O8V
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BU of 1o8v by Molmil
The crystal structure of Echinococcus granulosus fatty-acid-binding protein 1
分子名称: FATTY ACID BINDING PROTEIN HOMOLOG, PALMITIC ACID
著者Jakobsson, E, Alvite, G, Bergfors, T, Esteves, A, Kleywegt, G.J.
登録日2002-12-04
公開日2003-06-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Crystal Structure of Echinococcus Granulosus Fatty-Acid-Binding Protein 1
Biochim.Biophys.Acta, 1649, 2003
1QO7
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BU of 1qo7 by Molmil
Structure of Aspergillus niger epoxide hydrolase
分子名称: EPOXIDE HYDROLASE
著者Zou, J.-Y, Hallberg, B.M, Bergfors, T, Oesch, F, Arand, M, Mowbray, S.L, Jones, T.A.
登録日1999-11-04
公開日2000-02-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of Aspergillus Niger Epoxide Hydrolase at 1.8A Resolution: Implications for the Structure and Function of the Mammalian Microsomal Class of Epoxide Hydrolases
Structure, 8, 2000
1YM3
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BU of 1ym3 by Molmil
Crystal Structure of carbonic anhydrase RV3588c from Mycobacterium tuberculosis
分子名称: CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), MAGNESIUM ION, ZINC ION
著者Covarrubias, A.S, Larsson, A.M, Hogbom, M, Lindberg, J, Bergfors, T, Bjorkelid, C, Mowbray, S.L, Unge, T, Jones, T.A, Structural Proteomics in Europe (SPINE)
登録日2005-01-20
公開日2005-03-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and function of carbonic anhydrases from Mycobacterium tuberculosis.
J.Biol.Chem., 280, 2005
1YLK
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BU of 1ylk by Molmil
Crystal Structure of Rv1284 from Mycobacterium tuberculosis in Complex with Thiocyanate
分子名称: Hypothetical protein Rv1284/MT1322, THIOCYANATE ION, ZINC ION
著者Covarrubias, A.S, Larsson, A.M, Hogbom, M, Lindberg, J, Bergfors, T, Bjorkelid, C, Mowbray, S.L, Unge, T, Jones, T.A, Structural Proteomics in Europe (SPINE)
登録日2005-01-19
公開日2005-03-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and function of carbonic anhydrases from Mycobacterium tuberculosis.
J.Biol.Chem., 280, 2005
2Y1E
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X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese.
分子名称: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, SULFATE ION
著者Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
登録日2010-12-08
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
2Y1D
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X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue and manganese.
分子名称: (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION
著者Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
登録日2010-12-08
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
2Y1C
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X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese.
分子名称: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION
著者Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
登録日2010-12-08
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
2Y1F
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BU of 2y1f by Molmil
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue, manganese and NADPH.
分子名称: (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, ...
著者Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
登録日2010-12-08
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
2Y1G
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X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted FR900098 analogue and manganese.
分子名称: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ...
著者Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
登録日2010-12-08
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
2BNG
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Structure of an M.tuberculosis LEH-like epoxide hydrolase
分子名称: CALCIUM ION, MB2760
著者Johansson, P, Arand, M, Unge, T, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2005-03-24
公開日2005-08-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of an Atypical Epoxide Hydrolase from Mycobacterium Tuberculosis Gives Insights Into its Function.
J.Mol.Biol., 351, 2005
2XWM
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Crystal structure of IspD from Mycobacterium smegmatis in complex with CMP
分子名称: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE
著者Bjorkelid, C, Bergfors, T, Unge, T, Jones, T.A.
登録日2010-11-04
公開日2011-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Studies on Mycobacterial Ispd Enzymes
Acta Crystallogr.,Sect.D, 67, 2011

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