Author results

4M5I
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CALCIUM ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5L
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, CALCIUM ION, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.094 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5H
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, 4-{[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5M
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-1,9-dihydro-6H-purine-6-thione, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.118 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4X9X
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BIOCHEMICAL ROLES FOR CONSERVED RESIDUES IN THE BACTERIAL FATTY ACID BINDING PROTEIN FAMILY
Descriptor:DegV domain-containing protein MW1315, OLEIC ACID, 1,2-ETHANEDIOL
Authors:Broussard, T.C., Miller, D.J., Jackson, P., Nourse, A., Rock, C.O.
Deposit date:2014-12-11
Release date:2016-01-27
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Biochemical Roles for Conserved Residues in the Bacterial Fatty Acid-binding Protein Family.
J.Biol.Chem., 291, 2016
4M5K
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, CALCIUM ION, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.296 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
1OX0
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THE CRYSTAL STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE II FROM STREPTOCOCCUS PNEUMONIAE
Descriptor:Beta ketoacyl-acyl carrier protein synthase, MAGNESIUM ION
Authors:Price, A.C., Rock, C.O., White, S.W.
Deposit date:2003-03-31
Release date:2003-04-22
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The 1.3-Angstrom-Resolution Crystal Structure of beta-Ketoacyl-Acyl Carrier Protein Synthase II from Streptococcus pneumoniae.
J.Bacteriol., 185, 2003
4M5G
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, 2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6H-purin-6-one, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
6CNG
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THE X-RAY CRYSTAL STRUCTURE OF THE STREPTOCOCCUS PNEUMONIAE FATTY ACID KINASE (FAK) B3 PROTEIN LOADED WITH LINOLEIC ACID TO 1.47 ANGSTROM RESOLUTION
Descriptor:Fatty Acid Kinase (Fak) B3 protein, LINOLEIC ACID, SODIUM ION, ...
Authors:Cuypers, M.G., Subramanian, C., White, S.W., Rock, C.O.
Deposit date:2018-03-08
Release date:2019-07-03
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution
To Be Published
1HW1
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THE FADR-DNA COMPLEX: TRANSCRIPTIONAL CONTROL OF FATTY ACID METABOLISM IN ESCHERICHIA COLI
Descriptor:FATTY ACID METABOLISM REGULATOR PROTEIN, SULFATE ION, ZINC ION
Authors:Xu, Y., Heath, R.J., Li, Z., Rock, C.O., White, S.W.
Deposit date:2001-01-09
Release date:2001-01-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The FadR.DNA complex. Transcriptional control of fatty acid metabolism in Escherichia coli.
J.Biol.Chem., 276, 2001
1JYK
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CATALYTIC MECHANISM OF CTP:PHOSPHOCHOLINE CYTIDYLYLTRANSFERASE FROM STREPTOCOCCUS PNEUMONIAE (LICC)
Descriptor:CTP:phosphocholine Cytidylyltransferase
Authors:Kwak, B.-Y., Yun, M., Park, H.-w.
Deposit date:2001-09-12
Release date:2002-02-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and mechanism of CTP:phosphocholine cytidylyltransferase (LicC) from Streptococcus pneumoniae.
J.Biol.Chem., 277, 2002
3T7H
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ATG8 TRANSFER FROM ATG7 TO ATG3: A DISTINCTIVE E1-E2 ARCHITECTURE AND MECHANISM IN THE AUTOPHAGY PATHWAY
Descriptor:Ubiquitin-like modifier-activating enzyme ATG7
Authors:Taherbhoy, A.M., Tait, S.W., Kaiser, S.E., Williams, A.H., Deng, A., Nourse, A., Hammel, M., Kurinov, I., Rock, C.O., Green, D.R., Schulman, B.A.
Deposit date:2011-07-30
Release date:2011-11-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Atg8 transfer from atg7 to atg3: a distinctive e1-e2 architecture and mechanism in the autophagy pathway.
Mol.Cell, 44, 2011
6B3V
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PANK3 COMPLEX WITH COMPOUND PZ-2891
Descriptor:Pantothenate kinase 3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, MAGNESIUM ION, ...
Authors:White, S.W., Yun, M.
Deposit date:2017-09-25
Release date:2018-08-29
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:A therapeutic approach to pantothenate kinase associated neurodegeneration.
Nat Commun, 9, 2018
6ALW
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THE CRYSTAL STRUCTURE OF THE STAPHYLOCOCCUS AUREUS FATTY ACID KINASE (FAK) B1 PROTEIN LOADED WITH 12-METHYL MYRISTIC ACID (C15:0) TO 1.63 ANGSTROM RESOLUTION
Descriptor:EDD domain protein, DegV family, (12S)-12-methyltetradecanoic acid, ...
Authors:Cuypers, M.G., Ericson, M., Subramanian, C., White, S.W., Rock, C.O.
Deposit date:2017-08-08
Release date:2018-11-21
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins.
J. Biol. Chem., 294, 2019
6NOK
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THE X-RAY CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE FATTY ACID KINASE (FAK) B1 PROTEIN LOADED WITH MYRISTIC ACID (C14:0) TO 1.69 ANGSTROM RESOLUTION
Descriptor:Fatty Acid Kinase (Fak) B1 protein, MYRISTIC ACID, SODIUM ION
Authors:Cuypers, M.G., Gullett, J.M., Subramanian, C., White, S.W., Rock, C.O.
Deposit date:2019-01-16
Release date:2019-08-21
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution
To Be Published
4M5J
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
6NXC
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ECAI(T162A) MUTANT IN COMPLEX WITH CITRATE AT PH 4
Descriptor:L-asparaginase 1, CITRIC ACID, 1,2-ETHANEDIOL, ...
Authors:Lubkowski, J., Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
6NXB
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ECAII IN COMPLEX WITH CITRATE AT PH 7
Descriptor:L-asparaginase 2, CITRIC ACID, GLYCEROL
Authors:Lubkowski, J., Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
6DKE
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THE X-RAY CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE FATTY ACID KINASE (FAK) B1 PROTEIN LOADED WITH PALMITIC ACID (C16:0) TO 1.76 ANGSTROM RESOLUTION
Descriptor:Fatty Acid Kinase (Fak) B1 protein, PALMITIC ACID
Authors:Cuypers, M.G., Subramanian, C., White, S.W., Rock, C.O.
Deposit date:2018-05-29
Release date:2019-05-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with palmitic acid (C16:0) to 1.76 Angstrom resolution
To Be Published
5WOO
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THE CRYSTAL STRUCTURE OF THE STAPHYLOCOCCUS AUREUS FATTY ACID KINASE (FAK) B1 PROTEIN LOADED WITH MYRISTIC ACID (C14:0) TO 1.78 ANGSTROM RESOLUTION
Descriptor:EDD domain protein, DegV family, MYRISTIC ACID, ...
Authors:Cuypers, M.G., Ericson, M., Subramanian, C., White, S.W., Rock, C.O.
Deposit date:2017-08-02
Release date:2018-11-21
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins.
J. Biol. Chem., 294, 2019
4Q9N
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CRYSTAL STRUCTURE OF CHLAMYDIA TRACHOMATIS ENOYL-ACP REDUCTASE (FABI) IN COMPLEX WITH NADH AND AFN-1252
Descriptor:Enoyl-[acyl-carrier-protein] reductase [NADH], 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide
Authors:Yao, J., Abdelrahman, Y., Robertson, R.M., Cox, J.V., Belland, R.J., White, S.W., Rock, C.O.
Deposit date:2014-05-01
Release date:2014-06-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Type II Fatty Acid Synthesis Is Essential for the Replication of Chlamydia trachomatis.
J.Biol.Chem., 289, 2014
1EBL
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THE 1.8 A CRYSTAL STRUCTURE AND ACTIVE SITE ARCHITECTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE III (FABH) FROM ESCHERICHIA COLI
Descriptor:BETA-KETOACYL-ACP SYNTHASE III, COENZYME A
Authors:Davies, C., Heath, R.J., White, S.W., Rock, C.O.
Deposit date:2000-01-24
Release date:2000-02-11
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.8 A crystal structure and active-site architecture of beta-ketoacyl-acyl carrier protein synthase III (FabH) from escherichia coli.
Structure Fold.Des., 8, 2000
5UXY
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THE CRYSTAL STRUCTURE OF A DEGV FAMILY PROTEIN FROM EUBACTERIUM ELIGENS LOADED WITH HEPTADECANOIC ACID TO 1.80 ANGSTROM RESOLUTION (ALTERNATIVE REFINEMENT OF PDB 3FDJ WITH HEPTADECANOIC ACID)
Descriptor:DegV family protein, SODIUM ION, ACETIC ACID, ...
Authors:Cuypers, M.G., Ericson, M., subramanian, C., White, S.W., Rock, C.O.
Deposit date:2017-02-23
Release date:2018-11-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution
J.Biol.Chem., 2018
2HIM
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CRYSTAL STRUCTURE AND ALLOSTERIC REGULATION OF THE CYTOPLASMIC ESCHERICHIA COLI L-ASPARAGINASE I
Descriptor:L-asparaginase 1, ASPARTIC ACID, ASPARAGINE, ...
Authors:Yun, M.K., Nourse, A., White, S.W., Rock, C.O., Heath, R.J.
Deposit date:2006-06-29
Release date:2007-05-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia coli L-Asparaginase I.
J.Mol.Biol., 369, 2007
5KPR
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PANK3-AMPPNP-PANTOTHENATE COMPLEX
Descriptor:Pantothenate kinase 3, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:White, S.W., Yun, M.
Deposit date:2016-07-05
Release date:2016-08-31
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (1.827 Å)
Cite:Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016