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Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 2-aminoquinolin-8-ol (Chem 89)
分子名称:	1,2-ETHANEDIOL, 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-15
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

4YRM

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 3-methoxypyridine (Chem 443)
分子名称:	1,2-ETHANEDIOL, 3-methoxypyridine, GLYCEROL, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-15
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

4YRK

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (4-chlorophenyl)methanol (Chem 260)
分子名称:	(4-chlorophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-15
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

4YRI

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(3-bromophenyl)methanamine (Chem 166)
分子名称:	1,2-ETHANEDIOL, 1-(3-bromophenyl)methanamine, DIMETHYL SULFOXIDE, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-15
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

4YRR

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(quinolin-3-yl)acetamide (Chem 1691)
分子名称:	1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-15
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

4YRP

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(4-BROMOPHENYL)METHANAMINE (Chem 707)
分子名称:	1,2-ETHANEDIOL, 1-(4-BROMOPHENYL)METHANAMINE, DIMETHYL SULFOXIDE, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-15
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

4YRO

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-bromo-6-methylpyridin-2-amine (Chem 491)
分子名称:	1,2-ETHANEDIOL, 5-bromo-6-methylpyridin-2-amine, DIMETHYL SULFOXIDE, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-15
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

4YRL

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 4-(methylsulfanyl)aniline (Chem 262)
分子名称:	1,2-ETHANEDIOL, 4-(methylsulfanyl)aniline, DIMETHYL SULFOXIDE, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-15
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

4YP0

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-aminoisoquinoline (Chem 79)
分子名称:	1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-12
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

4YRE

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (2-bromophenyl)methanol (Chem 145)
分子名称:	(2-bromophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-15
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.25 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

4YRJ

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 4-chlorobenzene-1,2-diamine (Chem 256)
分子名称:	1,2-ETHANEDIOL, 4-chlorobenzene-1,2-diamine, DIMETHYL SULFOXIDE, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-15
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

4YRS

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(quinolin-3-yl)propanamide (Chem 1698)
分子名称:	HISTIDINE, Histidyl-tRNA synthetase, N-(quinolin-3-yl)propanamide
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-15
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.75 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

4YRF

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-bromopyridin-2(1H)-one (Chem 148)
分子名称:	1,2-ETHANEDIOL, 5-bromopyridin-2(1H)-one, DIMETHYL SULFOXIDE, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-15
公開日	2015-08-19
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr.,Sect.D, 71, 2015

4YRN

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 6-bromopyridin-3-amine (Chem 475)
分子名称:	1,2-ETHANEDIOL, 6-bromopyridin-3-amine, DIMETHYL SULFOXIDE, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-15
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

4YPF

Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with quinolin-3-amine (Chem 84)
分子名称:	1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-03-12
公開日	2015-08-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015

5V49

Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1917)
分子名称:	GLYCEROL, METHIONINE, Methionyl-tRNA synthetase, ...
著者	Barros-Alvarez, X, Hol, W.G.J.
登録日	2017-03-08
公開日	2017-07-26
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Optimization of a binding fragment targeting the "enlarged methionine pocket" leads to potent Trypanosoma brucei methionyl-tRNA synthetase inhibitors. Bioorg. Med. Chem. Lett., 27, 2017

5VMT

Crystal structure of a glyceraldehyde-3-phosphate dehydrogenase from Neisseria gonorrhoeae bound to NAD
分子名称:	CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日	2017-04-28
公開日	2017-05-10
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Structures of glyceraldehyde 3-phosphate dehydrogenase in Neisseria gonorrhoeae and Chlamydia trachomatis. Protein Sci., 29, 2020

3UPZ

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
分子名称:	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	2011-11-18
公開日	2012-03-14
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012

3UQF

c-SRC kinase domain in complex with BKI RM-1-89
分子名称:	3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者	Merritt, E.A, Larson, E.T.
登録日	2011-11-20
公開日	2012-03-14
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.27 Å)
主引用文献	Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012

3UQG

c-SRC kinase domain in complex with bumpless BKI analog UW1243
分子名称:	1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者	Merritt, E.A, Larson, E.T.
登録日	2011-11-20
公開日	2012-03-14
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012

3V5T

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
分子名称:	1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-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	2011-12-16
公開日	2012-03-14
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.13 Å)
主引用文献	Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012

3V3L

Crystal structure of human RNF146 WWE domain in complex with iso-ADPRibose
分子名称:	2'-O-(5-O-phosphono-alpha-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate), E3 ubiquitin-protein ligase RNF146
著者	Wang, Z, Cheng, Z, Xu, W.
登録日	2011-12-13
公開日	2012-02-15
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	Recognition of the iso-ADP-ribose moiety in poly(ADP-ribose) by WWE domains suggests a general mechanism for poly(ADP-ribosyl)ation-dependent ubiquitination. Genes Dev., 26, 2012

3V51

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

3UPX

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1300
分子名称:	Calmodulin-domain protein kinase 1, [2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone
著者	Merritt, E.A, Larson, E.T.
登録日	2011-11-18
公開日	2012-03-14
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.27 Å)
主引用文献	Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012

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