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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
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

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BU of 3so4 by Molmil

Methionine-adenosyltransferase from Entamoeba histolytica
分子名称:	ACETATE ION, Methionine-adenosyltransferase
著者	Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日	2011-06-29
公開日	2011-07-20
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (3.18 Å)
主引用文献	Methionine-adenosyltransferase from Entamoeba histolytica To be Published

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BU of 3sxf by Molmil

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89
分子名称:	1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
著者	Larson, E.T, Merritt, E.A.
登録日	2011-07-14
公開日	2012-03-14
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (2.04 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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BU of 3uqg by Molmil

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

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BU of 3upz by Molmil

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

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BU of 3uqf by Molmil

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

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BU of 3t3v by Molmil

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87
分子名称:	1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者	Larson, E.T, Merritt, E.A.
登録日	2011-07-25
公開日	2012-03-14
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (2.04 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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BU of 3t3u by Molmil

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130
分子名称:	1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
著者	Larson, E.T, Merritt, E.A.
登録日	2011-07-25
公開日	2012-03-14
最終更新日	2023-09-13
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

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BU of 3v51 by Molmil

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

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BU of 3v5p by Molmil

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

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BU of 3upx by Molmil

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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BU of 4j75 by Molmil

Crystal Structure of a parasite tRNA synthetase, product-bound
分子名称:	GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase
著者	Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日	2013-02-12
公開日	2013-05-22
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design. Mol.Biochem.Parasitol., 189, 2013

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BU of 4j76 by Molmil

Crystal Structure of a parasite tRNA synthetase, ligand-free
分子名称:	GLYCEROL, Tryptophanyl-tRNA synthetase
著者	Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日	2013-02-12
公開日	2013-05-22
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (2.34 Å)
主引用文献	Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design. Mol.Biochem.Parasitol., 189, 2013

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BU of 3v3l by Molmil

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

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BU of 3v5t by Molmil

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

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BU of 4y5q by Molmil

Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
分子名称:	ADENOSINE MONOPHOSPHATE, CALCIUM ION, Calmodulin-domain protein kinase 1, ...
著者	Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日	2015-02-11
公開日	2015-02-25
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP To Be Published

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