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8CTO
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BU of 8cto by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-16
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CUN
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BU of 8cun by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CWA
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BU of 8cwa by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-18
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
4YZB
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BU of 4yzb by Molmil
CDPK1 from Eimeria tenella in complex with inhibitor UW1521
Descriptor: 4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine, CALCIUM ION, Calmodulin-like domain protein kinase
Authors:Merritt, E.A.
Deposit date:2015-03-24
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
5UJ5
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BU of 5uj5 by Molmil
Solution structure of the oxidized iron-sulfur protein adrenodoxin from Encephalitozoon cuniculi. Seattle Structural Genomics Center for Infectious Disease target EncuA.00705.a
Descriptor: Adrenodoxin, FE2/S2 (INORGANIC) CLUSTER
Authors:Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-01-17
Release date:2017-02-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure for an Encephalitozoon cuniculi adrenodoxin-like protein in the oxidized state.
Protein Sci., 29, 2020
6ALI
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BU of 6ali by Molmil
Solution NMR structure of a putative thioredoxin (ECH_0218) in the oxidized state from Ehrlichia chaffeensis, the etiological agent responsible for human monocytic ehrlichiosis. Seattle Structural Genomics Center for Infectious Disease target EhchA.00546.a
Descriptor: Thioredoxin
Authors:Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-08-08
Release date:2017-09-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution NMR structures of oxidized and reduced Ehrlichia chaffeensis thioredoxin: NMR-invisible structure owing to backbone dynamics.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6AMR
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BU of 6amr by Molmil
Solution NMR structure of a putative thioredoxin (ECH_0218) in the reduced state from Ehrlichia chaffeensis, the etiological agent responsible for human monocytic ehrlichiosis. Seattle Structural Genomics Center for Infectious Disease target EhchA.00546.a
Descriptor: Thioredoxin
Authors:Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-08-11
Release date:2017-09-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structures of oxidized and reduced Ehrlichia chaffeensis thioredoxin: NMR-invisible structure owing to backbone dynamics.
Acta Crystallogr F Struct Biol Commun, 74, 2018
2A0M
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BU of 2a0m by Molmil
Arginase superfamily protein from Trypanosoma cruzi
Descriptor: ARGINASE SUPERFAMILY PROTEIN, CHLORIDE ION
Authors:Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-06-16
Release date:2005-07-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Structural genomics of pathogenic protozoa: an overview.
Methods Mol.Biol., 426, 2008
4WI1
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BU of 4wi1 by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with TCMDC-124506
Descriptor: 1,2-ETHANEDIOL, 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]urea, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-09-25
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.
Acs Infect Dis., 2016
4M97
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BU of 4m97 by Molmil
Calcium-Dependent Protein Kinase 1 from Neospora caninum
Descriptor: Calmodulin-like domain protein kinase isoenzyme gamma, related
Authors:Merritt, E.A.
Deposit date:2013-08-14
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
5EJ2
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BU of 5ej2 by Molmil
Crystal structure of Carveol dehydrogenase from Mycobacterium avium in complex with NAD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-10-31
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
4YSM
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BU of 4ysm by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella
Descriptor: CALCIUM ION, Calmodulin-like domain protein kinase
Authors:Merritt, E.A.
Deposit date:2015-03-17
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
4YUQ
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BU of 4yuq by Molmil
CDPK1 from Eimeria tenella in complex with inhibitor UW1354
Descriptor: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-like domain protein kinase
Authors:Merritt, E.A.
Deposit date:2015-03-19
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
4MX9
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BU of 4mx9 by Molmil
CDPK1 from Neospora caninum in complex with inhibitor UW1294
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related
Authors:Merritt, E.A.
Deposit date:2013-09-26
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
4MXA
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BU of 4mxa by Molmil
CDPK1 from Neospora caninum in complex with inhibitor RM-1-132
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related
Authors:Merritt, E.A.
Deposit date:2013-09-26
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
3URR
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BU of 3urr by Molmil
Structure of PTS IIA-like nitrogen-regulatory protein PtsN (BTH_I0484) (ptsN)
Descriptor: GLYCEROL, PHOSPHATE ION, PTS IIA-like nitrogen-regulatory protein PtsN
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-22
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3V9O
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BU of 3v9o by Molmil
Crystal structure of Dihydroneopterin aldolase (BTH_I0291) from Burkholderia thailendensis bound to guanine.
Descriptor: 1,2-ETHANEDIOL, Dihydroneopterin aldolase, GUANINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-27
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3V8H
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BU of 3v8h by Molmil
Crystal structure of Thymidylate Synthase from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Thymidylate synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-22
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3VAV
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BU of 3vav by Molmil
Crystal structure of 3-methyl-2-oxobutanoate hydroxymethyltransferase from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, 3-methyl-2-oxobutanoate hydroxymethyltransferase, CHLORIDE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-29
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3V7N
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BU of 3v7n by Molmil
Crystal structure of Threonine synthase (thrC) from from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, BORIC ACID, MALONIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-21
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3V9P
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BU of 3v9p by Molmil
Crystal structure of Thymidylate kinase from Burkholderia thailandensis
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-27
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3UW1
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BU of 3uw1 by Molmil
Crystal structure of ribose-5-phosphate isomerase a from burkholderia thailandensis with ribose-5-phosphate
Descriptor: RIBOSE-5-PHOSPHATE, Ribose-5-phosphate isomerase A
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-30
Release date:2011-12-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3V2I
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BU of 3v2i by Molmil
Structure of a Peptidyl-tRNA hydrolase (PTH) from Burkholderia thailandensis
Descriptor: CITRIC ACID, Peptidyl-tRNA hydrolase, UNKNOWN LIGAND
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-12
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3UW2
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BU of 3uw2 by Molmil
X-ray Crystal Structure of Phosphoglucomutase/phosphomannomutase family protein (BTH_I1489)from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-30
Release date:2012-02-01
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3UPT
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BU of 3upt by Molmil
Crystal structure of a transketolase from Burkholderia pseudomallei bound to TPP, calcium and ribose-5-phosphate
Descriptor: 5-O-phosphono-beta-D-ribofuranose, BROMIDE ION, CALCIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-18
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013

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