4WG3
 
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4WG4
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6MES
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4TZR
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561 | | 分子名称: | 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | | 著者 | Merritt, E.A. | | 登録日 | 2014-07-10 | | 公開日 | 2014-08-27 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
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6CML
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 2093) | | 分子名称: | 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ... | | 著者 | Barros-Alvarez, X, Hol, W.G.J. | | 登録日 | 2018-03-05 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei
Rsc Med Chem, 11, 2020
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8FBT
 | | Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Staker, B.L, Fenwick, M.K, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2022-11-30 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Identification of and Structural Insights into Hit Compounds Targeting N -Myristoyltransferase for Cryptosporidium Drug Development.
Acs Infect Dis., 9, 2023
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8FBM
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8FBU
 | | Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and Compound-2 | | 分子名称: | (2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Staker, B.L, Fenwick, M.K, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2022-11-30 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification of and Structural Insights into Hit Compounds Targeting N -Myristoyltransferase for Cryptosporidium Drug Development.
Acs Infect Dis., 9, 2023
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5USF
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2A0K
 | | Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.8 A resolution | | 分子名称: | GLYCEROL, Nucleoside 2-deoxyribosyltransferase, SULFATE ION | | 著者 | Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | | 登録日 | 2005-06-16 | | 公開日 | 2005-07-26 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
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6BFA
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553 | | 分子名称: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | | 著者 | Merritt, E.A. | | 登録日 | 2017-10-26 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
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1JQY
 | | HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010 | | 分子名称: | (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, HEAT-LABILE ENTEROTOXIN B CHAIN | | 著者 | Merritt, E.A, Hol, W.G.J. | | 登録日 | 2001-08-09 | | 公開日 | 2002-05-08 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
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1JR0
 | | CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011 | | 分子名称: | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, cholera toxin B subunit | | 著者 | Merritt, E.A, Hol, W.G.J. | | 登録日 | 2001-08-09 | | 公開日 | 2002-05-08 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
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4YJN
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2F64
 | | Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.6 A resolution with 1-METHYLQUINOLIN-2(1H)-ONE bound | | 分子名称: | 1-METHYLQUINOLIN-2(1H)-ONE, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ... | | 著者 | Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | | 登録日 | 2005-11-28 | | 公開日 | 2005-12-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
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3S4O
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2F62
 | | Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.5 A resolution with (2-ETHYLPHENYL)METHANOL bound | | 分子名称: | (2-ETHYLPHENYL)METHANOL, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ... | | 著者 | Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | | 登録日 | 2005-11-28 | | 公開日 | 2005-12-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
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2F67
 | | Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.6 A resolution with BENZO[CD]INDOL-2(1H)-ONE bound | | 分子名称: | BENZO[CD]INDOL-2(1H)-ONE, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ... | | 著者 | Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | | 登録日 | 2005-11-28 | | 公開日 | 2005-12-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
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2F2T
 | | Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.7 A resolution with 5-Aminoisoquinoline bound | | 分子名称: | GLYCEROL, ISOQUINOLIN-5-AMINE, Nucleoside 2-deoxyribosyltransferase, ... | | 著者 | Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | | 登録日 | 2005-11-17 | | 公開日 | 2005-11-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
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3BJE
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1LLR
 | | CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0012 | | 分子名称: | 3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE, 5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside, CHOLERA TOXIN B SUBUNIT | | 著者 | Merritt, E.A, Hol, W.G.J. | | 登録日 | 2002-04-30 | | 公開日 | 2002-08-14 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Characterization and crystal structure of a high-affinity pentavalent receptor-binding inhibitor for cholera toxin and E. coli heat-labile enterotoxin.
J.Am.Chem.Soc., 124, 2002
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4GGN
 | | Malaria invasion machinery protein complex | | 分子名称: | Myosin A tail domain interacting protein MTIP, Myosin-A | | 著者 | Khamrui, S, Turley, S, Bergman, L.W, Hol, W.G.J. | | 登録日 | 2012-08-06 | | 公開日 | 2013-07-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | The structure of the D3 domain of Plasmodium falciparum myosin tail interacting protein MTIP in complex with a nanobody.
Mol.Biochem.Parasitol., 190, 2013
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6OK4
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4K1B
 | | Structure of PIM-1 kinase bound to N-(5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-((((3R,4R)-3-fluoropiperidin-4-yl)methyl)amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | 分子名称: | N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | 著者 | Murray, J.M, Wallweber, H, Steffek, M. | | 登録日 | 2013-04-04 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.082 Å) | | 主引用文献 | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
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4K18
 | | Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide | | 分子名称: | 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | 著者 | Murray, J.M, Wallweber, H, Steffek, M. | | 登録日 | 2013-04-04 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.051 Å) | | 主引用文献 | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
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