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Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
分子名称:	3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者	Merritt, E.A, Larson, E.T.
登録日	2011-12-15
公開日	2012-03-14
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012

3V5P

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288
分子名称:	3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者	Merritt, E.A, Larson, E.T.
登録日	2011-12-16
公開日	2012-03-14
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012

2A0M

Arginase superfamily protein from Trypanosoma cruzi
分子名称:	ARGINASE SUPERFAMILY PROTEIN, CHLORIDE ION
著者	Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日	2005-06-16
公開日	2005-07-05
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (1.603 Å)
主引用文献	Structural genomics of pathogenic protozoa: an overview. Methods Mol.Biol., 426, 2008

4YSM

Calcium-Dependent Protein Kinase from Eimeria tenella
分子名称:	CALCIUM ION, Calmodulin-like domain protein kinase
著者	Merritt, E.A.
登録日	2015-03-17
公開日	2016-04-06
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (3.19 Å)
主引用文献	CDPK is a druggable target in the apicomplexan parasite Eimeria to be published

4YUQ

CDPK1 from Eimeria tenella in complex with inhibitor UW1354
分子名称:	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
著者	Merritt, E.A.
登録日	2015-03-19
公開日	2016-04-06
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	CDPK is a druggable target in the apicomplexan parasite Eimeria to be published

4YZB

CDPK1 from Eimeria tenella in complex with inhibitor UW1521
分子名称:	4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine, CALCIUM ION, Calmodulin-like domain protein kinase
著者	Merritt, E.A.
登録日	2015-03-24
公開日	2016-04-06
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.9 Å)
主引用文献	CDPK is a druggable target in the apicomplexan parasite Eimeria to be published

4M97

Calcium-Dependent Protein Kinase 1 from Neospora caninum
分子名称:	Calmodulin-like domain protein kinase isoenzyme gamma, related
著者	Merritt, E.A.
登録日	2013-08-14
公開日	2013-10-02
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014

4MXA

CDPK1 from Neospora caninum in complex with inhibitor RM-1-132
分子名称:	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
著者	Merritt, E.A.
登録日	2013-09-26
公開日	2013-10-09
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (3 Å)
主引用文献	Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014

7N8I

SARS-CoV-2 S (B.1.429 / epsilon variant) + S2M11 + S2L20 (Local Refinement of the NTD/S2L20)
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab Heavy Chain Variable Region, S2L20 Fab Light Chain Variable Region, ...
著者	McCallum, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日	2021-06-14
公開日	2021-07-14
最終更新日	2021-08-18
実験手法	ELECTRON MICROSCOPY (3 Å)
主引用文献	SARS-CoV-2 immune evasion by the B.1.427/B.1.429 variant of concern. Science, 373, 2021

7N8H

SARS-CoV-2 S (B.1.429 / epsilon variant) + S2M11 + S2L20 Global Refinement
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
著者	McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2021-06-14
公開日	2021-07-14
最終更新日	2021-08-18
実験手法	ELECTRON MICROSCOPY (2.3 Å)
主引用文献	SARS-CoV-2 immune evasion by the B.1.427/B.1.429 variant of concern. Science, 373, 2021

6HCU

Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand
分子名称:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ...
著者	Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
登録日	2018-08-16
公開日	2019-04-03
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.62 Å)
主引用文献	Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019

6HCW

Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and a difluoro cyclohexyl chromone ligand
分子名称:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSINE, Lysine--tRNA ligase, ...
著者	Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
登録日	2018-08-16
公開日	2019-04-03
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.46 Å)
主引用文献	Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019

6HCV

Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand
分子名称:	6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, Lysine--tRNA ligase
著者	Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
登録日	2018-08-16
公開日	2019-04-03
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019

8CUN

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%)
分子名称:	Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者	Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日	2022-05-17
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

8CWA

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
分子名称:	Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者	Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日	2022-05-18
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

8CTO

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
分子名称:	Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
著者	Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日	2022-05-16
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

8DYA

Structure of the SARS-CoV-2 spike glycoprotein S2 subunit
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者	Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日	2022-08-03
公開日	2022-11-30
最終更新日	2023-01-11
実験手法	ELECTRON MICROSCOPY (3.67 Å)
主引用文献	SARS-CoV-2 spike conformation determines plasma neutralizing activity elicited by a wide panel of human vaccines. Sci Immunol, 7, 2022

6ALI

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
分子名称:	Thioredoxin
著者	Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2017-08-08
公開日	2017-09-06
最終更新日	2023-06-14
実験手法	SOLUTION NMR
主引用文献	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

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
分子名称:	Thioredoxin
著者	Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2017-08-11
公開日	2017-09-20
最終更新日	2024-05-15
実験手法	SOLUTION NMR
主引用文献	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

5ELN

Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine
分子名称:	1,2-ETHANEDIOL, GLYCEROL, LYSINE, ...
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2015-11-04
公開日	2016-11-16
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc. Natl. Acad. Sci. U.S.A., 2019

5ELO

Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and cladosporin
分子名称:	1,2-ETHANEDIOL, LYSINE, Lysine--tRNA ligase, ...
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2015-11-04
公開日	2016-11-16
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc. Natl. Acad. Sci. U.S.A., 2019

6DA0

Crystal structure of glucokinase (NfHK) from Naegleria fowleri
分子名称:	Glucokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, beta-D-glucopyranose
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2018-05-01
公開日	2018-05-09
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Enzymatic and Structural Characterization of theNaegleria fowleriGlucokinase. Antimicrob.Agents Chemother., 63, 2019

4PY2

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
分子名称:	1,2-ETHANEDIOL, 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, Methionine--tRNA ligase
著者	Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2014-03-25
公開日	2015-04-15
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (2.15 Å)
主引用文献	Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis. Plos One, 11, 2016

4Q15

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
分子名称:	1,2-ETHANEDIOL, 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, ...
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2014-04-02
公開日	2016-04-20
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (2.35 Å)
主引用文献	Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase. Acs Infect Dis., 3, 2017

4NCX

Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum 3D7
分子名称:	1,2-ETHANEDIOL, CHLORIDE ION, Proline--tRNA ligase
著者	Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2013-10-25
公開日	2014-10-29
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase. Acs Infect Dis., 3, 2017

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