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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
8DOR
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BU of 8dor by Molmil
Crystal structure of Dihydropteridine reductase/oxygen-insensitive NAD(P)H nitroreductase from Klebsiella pneumoniae
Descriptor: Dihydropteridine reductase/oxygen-insensitive NAD(P)H nitroreductase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-14
Release date:2022-07-27
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structures of NAD(P)H nitroreductases from Klebsiella pneumoniae.
Acta Crystallogr.,Sect.F, 80, 2024
8DYA
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BU of 8dya by Molmil
Structure of the SARS-CoV-2 spike glycoprotein S2 subunit
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2022-08-03
Release date:2022-11-30
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:SARS-CoV-2 spike conformation determines plasma neutralizing activity elicited by a wide panel of human vaccines.
Sci Immunol, 7, 2022
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
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
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
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
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
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
6DA0
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BU of 6da0 by Molmil
Crystal structure of glucokinase (NfHK) from Naegleria fowleri
Descriptor: Glucokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, beta-D-glucopyranose
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-05-01
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzymatic and Structural Characterization of theNaegleria fowleriGlucokinase.
Antimicrob.Agents Chemother., 63, 2019
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
4PY2
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BU of 4py2 by Molmil
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor 1-{3-[(3,5-DICHLOROBENZYL)AMINO]PROPYL}-3-THIOPHEN-3-YLUREA
Descriptor: 1,2-ETHANEDIOL, 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, Methionine--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-03-25
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.
Plos One, 11, 2016
4Q15
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BU of 4q15 by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with Halofuginone and AMPPNP in space group P212121 at 2.35 A
Descriptor: 1,2-ETHANEDIOL, 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-04-02
Release date:2016-04-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.
Acs Infect Dis., 3, 2017
3NYV
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BU of 3nyv by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with non-specific inhibitor WHI-P180
Descriptor: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-07-15
Release date:2010-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Binding modes of non-specific inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from T. gondii and C. parvum
To be Published
1ZSO
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BU of 1zso by Molmil
Hypothetical protein from plasmodium falciparum
Descriptor: hypothetical protein
Authors:Holmes, M.A, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-05-24
Release date:2005-06-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of the conserved hypothetical protein MAL13P1.257 from Plasmodium falciparum.
Acta Crystallogr.,Sect.F, 62, 2006
2A0K
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BU of 2a0k by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.8 A resolution
Descriptor: GLYCEROL, Nucleoside 2-deoxyribosyltransferase, SULFATE ION
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-06-16
Release date:2005-07-26
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
7SOD
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BU of 7sod by Molmil
SARS-CoV-2 S NTD B.1.617.1 kappa variant S2L20 Local Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab heavy chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-29
Release date:2021-11-17
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular basis of immune evasion by the Delta and Kappa SARS-CoV-2 variants.
Science, 374, 2021
7SOB
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BU of 7sob by Molmil
SARS-CoV-2 S B.1.617.1 kappa variant + S309 + S2L20 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab heavy chain, S2L20 Fab light chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-29
Release date:2021-11-17
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Molecular basis of immune evasion by the Delta and Kappa SARS-CoV-2 variants.
Science, 374, 2021
7SO9
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BU of 7so9 by Molmil
SARS-CoV-2 S B.1.617.2 delta variant + S2M11 + S2L20 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab heavy chain, S2L20 Fab light chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-29
Release date:2021-11-17
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Molecular basis of immune evasion by the Delta and Kappa SARS-CoV-2 variants.
Science, 374, 2021
7SOC
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BU of 7soc by Molmil
SARS-CoV-2 S RBD B.1.617.1 kappa variant S309 Local Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S309 Fab heavy chain, S309 Fab light chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-29
Release date:2021-11-17
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis of immune evasion by the Delta and Kappa SARS-CoV-2 variants.
Science, 374, 2021
7SOE
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BU of 7soe by Molmil
SARS-CoV-2 S B.1.617.1 kappa variant + S2X303 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2X303 Fab heavy chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-29
Release date:2021-11-17
Last modified:2022-06-08
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular basis of immune evasion by the Delta and Kappa SARS-CoV-2 variants.
Science, 374, 2021
7SOF
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BU of 7sof by Molmil
SARS-CoV-2 S NTD B.1.617.1 kappa variant S2X303 Local Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2X303 Fab heavy chain, S2X303 Fab light chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-29
Release date:2021-11-17
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular basis of immune evasion by the Delta and Kappa SARS-CoV-2 variants.
Science, 374, 2021

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