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9C8S
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BU of 9c8s by Molmil
CryoEM structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with adenosine-5'-ethylphosphate
分子名称: 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
著者Xu, Z, Schnicker, N.J, Jezeski, A.J, Krysan, D.J.
登録日2024-06-12
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.37 Å)
主引用文献CryoEM structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with adenosine-5'-ethylphosphate
To Be Published
9C8R
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BU of 9c8r by Molmil
CryoEM structure of Apo Cryptococcus neoformans H99 Acetyl-CoA Synthetase
分子名称: Acetyl-coenzyme A synthetase
著者Xu, Z, Schnicker, N.J, Jezeski, A.J, Krysan, D.J.
登録日2024-06-12
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献CryoEM structure of Apo Cryptococcus neoformans H99 Acetyl-CoA Synthetase
To Be Published
7MMZ
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BU of 7mmz by Molmil
Crystal Structure of Acetyl-coenzyme A synthetase from Legionella pneumophila Philadelphia 1 in complex with ethyl-AMP
分子名称: 1,2-ETHANEDIOL, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-04-30
公開日2021-05-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacterial structural genomics target enabled by a recently discovered potent fungal acetyl-CoA synthetase inhibitor.
Acta Crystallogr.,Sect.F, 2023
6U69
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BU of 6u69 by Molmil
Crystal structure of Yck2 from Candida albicans, apoenzyme
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-08-29
公開日2019-10-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2.
Cell Chem Biol, 27, 2020
6U6A
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BU of 6u6a by Molmil
Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A
分子名称: 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine, SULFATE ION, Serine/threonine protein kinase
著者Stogios, P.J, Evdokimova, E, Di Leo, R, Chang, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-08-29
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2.
Cell Chem Biol, 27, 2020
5K85
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BU of 5k85 by Molmil
Crystal Structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate and Coenzyme A from Cryptococcus neoformans H99
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Delker, S.L, Potts, K.T, Lorimer, D.D, Edwards, T.E, Mutz, M.W, SSGCID
登録日2016-05-27
公開日2016-08-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献CRYSTAL STRUCTURE OF ACETYL-COA SYNTHETASE IN COMPLEX WITH ADENOSINE-5'-PROPYLPHOSPHATE AND COENZYME A FROM CRYPTOCOCCUS NEOFORMANS H99
To Be Published
5U29
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BU of 5u29 by Molmil
Crystal structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with Ac-AMS
分子名称: 1,2-ETHANEDIOL, 5'-O-(acetylsulfamoyl)adenosine, Acetyl-coenzyme A synthetase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Edwards, T.E, Potts, K.T, Taylor, B.M.
登録日2016-11-30
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with Ac-AMS
To Be Published
5K8F
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BU of 5k8f by Molmil
Crystal structure of Acetyl-CoA Synthetase in complex with ATP and Acetyl-AMP from Cryptococcus neoformans H99
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Acetyl-coenzyme A synthetase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Delker, S.L, Potts, K.T, Lorimer, D.D, Edwards, T.E, Mutz, M.W.
登録日2016-05-30
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of Acetyl-CoA Synthetase in complex with ATP and Acetyl-AMP from Cryptococcus neoformans H99
To Be Published
5VPV
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BU of 5vpv by Molmil
Crystal structure of Apo Cryptococcus neoformans H99 Acetyl-CoA Synthetase with an Acetylated Active Site Lysine
分子名称: Acetyl-coenzyme A synthetase, GLYCEROL, PHOSPHATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Davies, D.R, Calhoun, B.
登録日2017-05-05
公開日2017-05-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Apo Cryptococcus neoformans H99 Acetyl-CoA Synthetase with an Acetylated Active Site Lysine
to be published
6CJJ
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BU of 6cjj by Molmil
Candida albicans Hsp90 nucleotide binding domain in complex with ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90 homolog, ...
著者Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC)
登録日2018-02-26
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6CJS
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BU of 6cjs by Molmil
Candida albicans Hsp90 nucleotide binding domain in complex with AUY922
分子名称: 1,2-ETHANEDIOL, 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE, Heat shock protein 90 homolog
著者Kirkpatrick, M.G, Pizarro, J.C.
登録日2018-02-26
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6CJL
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Candida albicans Hsp90 nucleotide binding domain in complex with radicicol
分子名称: Heat shock protein 90 homolog, MAGNESIUM ION, RADICICOL
著者Nation, C, Pizarro, J.C.
登録日2018-02-26
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6972 Å)
主引用文献Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6CJP
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Candida albicans Hsp90 nucleotide binding domain in complex with radicicol
分子名称: (1aR,2Z,4E,6E,14R,15aR)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one, Heat shock protein 90 homolog
著者Nation, C, Pizarro, J.C.
登録日2018-02-26
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6CJI
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BU of 6cji by Molmil
Candida albicans Hsp90 nucleotide binding domain
分子名称: 1,2-ETHANEDIOL, Heat shock protein 90 homolog
著者Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC)
登録日2018-02-26
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6CJR
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BU of 6cjr by Molmil
Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112
分子名称: 1,2-ETHANEDIOL, 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein 90 homolog
著者Kirkpatrick, M.G, Pizarro, J.C.
登録日2018-02-26
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
7KVY
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BU of 7kvy by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate and Co-enzyme A from Coccidioides immitis RS
分子名称: 1,2-ETHANEDIOL, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-11-29
公開日2020-12-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate and Co-enzyme A from Coccidioides immitis RS
to be published
7L3Q
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BU of 7l3q by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-methylphosphate and Co-enzyme A from Coccidioides immitis RS
分子名称: 1,2-ETHANEDIOL, 5'-O-[(R)-hydroxy(methoxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-12-18
公開日2020-12-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-methylphosphate and Co-enzyme A from Coccidioides immitis RS
to be published
7KQZ
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BU of 7kqz by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate from Coccidioides immitis RS
分子名称: 1,2-ETHANEDIOL, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-11-18
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate from Coccidioides immitis RS
to be published
7K9R
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Cryptococcus neoformans Hsp90 nucleotide binding domain
分子名称: CHLORIDE ION, Hsp90-like protein
著者Kuntz, D.A, Kenney, T, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
7KDN
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Crystal structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate from Aspergillus fumigatus
分子名称: ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-10-09
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate from Aspergillus fumigatus
to be published
7K9W
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Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00461
分子名称: (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone, BENZAMIDINE, CHLORIDE ION, ...
著者Kuntz, D.A, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
7K9S
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Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with NVP-AUY922
分子名称: 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE, Hsp90-like protein
著者Kuntz, D.A, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
7K9U
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Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00429
分子名称: (5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone, Hsp90-like protein
著者Kuntz, D.A, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
7KDS
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BU of 7kds by Molmil
Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-propylphosphate from Candida albicans
分子名称: ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase 2, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-10-09
公開日2020-11-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-propylphosphate from Candida albicans
To Be Published
7K9V
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Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00452
分子名称: (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone, BENZAMIDINE, CHLORIDE ION, ...
著者Kuntz, D.A, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021

 

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