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3TRK
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BU of 3trk by Molmil
Structure of the Chikungunya virus nsP2 protease
Descriptor: Nonstructural polyprotein, SODIUM ION
Authors:Cheung, J, Franklin, M, Mancia, F, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Structure of the Chikungunya virus nsP2 protease
To be Published
3TQL
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BU of 3tql by Molmil
Structure of the amino acid ABC transporter, periplasmic amino acid-binding protein from Coxiella burnetii.
Descriptor: ARGININE, Arginine-binding protein, IMIDAZOLE
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-10-05
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (1.594 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQR
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BU of 3tqr by Molmil
Structure of the phosphoribosylglycinamide formyltransferase (purN) in complex with CHES from Coxiella burnetii
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Phosphoribosylglycinamide formyltransferase
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TTH
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BU of 3tth by Molmil
Structure of the spermidine N1-acetyltransferase (speG) from Coxiella burnetii
Descriptor: SULFATE ION, Spermidine N1-acetyltransferase
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-14
Release date:2011-11-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQT
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BU of 3tqt by Molmil
Structure of the D-alanine-D-alanine ligase from Coxiella burnetii
Descriptor: D-alanine--D-alanine ligase
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQN
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BU of 3tqn by Molmil
Structure of the transcriptional regulator of the GntR family, from Coxiella burnetii.
Descriptor: Transcriptional regulator, GntR family
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQP
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BU of 3tqp by Molmil
Structure of an enolase (eno) from Coxiella burnetii
Descriptor: Enolase, MAGNESIUM ION, PHOSPHATE ION
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQM
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BU of 3tqm by Molmil
Structure of an ribosomal subunit interface protein from Coxiella burnetii
Descriptor: Ribosome-associated factor Y, SULFATE ION
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQO
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BU of 3tqo by Molmil
Structure of the cysteinyl-tRNA synthetase (cysS) from Coxiella burnetii.
Descriptor: Cysteinyl-tRNA synthetase, ZINC ION
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQQ
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BU of 3tqq by Molmil
Structure of the methionyl-tRNA formyltransferase (fmt) from Coxiella burnetii
Descriptor: Methionyl-tRNA formyltransferase, POTASSIUM ION
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQS
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BU of 3tqs by Molmil
Structure of the dimethyladenosine transferase (ksgA) from Coxiella burnetii
Descriptor: Ribosomal RNA small subunit methyltransferase A
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQV
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BU of 3tqv by Molmil
Structure of the nicotinate-nucleotide pyrophosphorylase from Francisella tularensis.
Descriptor: Nicotinate-nucleotide pyrophosphorylase, PHOSPHATE ION
Authors:Rudolph, M, Cheung, J, Franklin, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction.
Plos One, 8, 2013
4F3Q
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BU of 4f3q by Molmil
Structure of a YebC family protein (CBU_1566) from Coxiella burnetii
Descriptor: SULFATE ION, Transcriptional regulatory protein CBU_1566
Authors:Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2012-05-09
Release date:2012-06-27
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4F3R
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BU of 4f3r by Molmil
Structure of phosphopantetheine adenylyltransferase (CBU_0288) from Coxiella burnetii
Descriptor: CALCIUM ION, Phosphopantetheine adenylyltransferase
Authors:Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2012-05-09
Release date:2012-07-04
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4EY7
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BU of 4ey7 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Donepezil
Descriptor: 1,2-ETHANEDIOL, 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3509 Å)
Cite:Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4EY4
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BU of 4ey4 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in the Apo state
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.156 Å)
Cite:Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4EY8
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BU of 4ey8 by Molmil
Crystal structure of recombinant human acetylcholinesterase in complex with fasciculin-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, Fasciculin-2, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5958 Å)
Cite:Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4EY5
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BU of 4ey5 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-huperzine A
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3012 Å)
Cite:Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4EY6
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BU of 4ey6 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-galantamine
Descriptor: (-)-GALANTHAMINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3983 Å)
Cite:Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4NG4
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BU of 4ng4 by Molmil
Structure of phosphoglycerate kinase (CBU_1782) from Coxiella burnetii
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoglycerate kinase
Authors:Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2013-11-01
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
5K09
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BU of 5k09 by Molmil
Crystal Structure of COMT in complex with a thiazole ligand
Descriptor: 5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, PHOSPHATE ION, ...
Authors:Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
Deposit date:2016-05-17
Release date:2016-09-07
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
3L0K
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BU of 3l0k by Molmil
Human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-UMP
Descriptor: 6-acetyluridine 5'-phosphate, GLYCEROL, Uridine 5'-monophosphate synthase
Authors:Heinrich, D, Diederichsen, U, Rudolph, M.
Deposit date:2009-12-10
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3L0N
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BU of 3l0n by Molmil
Human orotidyl-5'-monophosphate decarboxylase in complex with 6-mercapto-UMP
Descriptor: 6-sulfanyluridine-5'-phosphate, Uridine 5'-monophosphate synthase
Authors:Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M.
Deposit date:2009-12-10
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
5K03
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BU of 5k03 by Molmil
Crystal Structure of COMT in complex with 2,6-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine
Descriptor: 2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine, Catechol O-methyltransferase, POTASSIUM ION
Authors:Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
Deposit date:2016-05-17
Release date:2016-09-07
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
5K0J
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BU of 5k0j by Molmil
Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ...
Authors:Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
Deposit date:2016-05-17
Release date:2016-09-07
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016

 

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