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5L03
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BU of 5l03 by Molmil
Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to L-tryptophan hydroxamate
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, N-hydroxy-L-tryptophanamide, ZINC ION
Authors:Blain, J.M, Ghose, D, Gorman, J.L, Goshu, G.M, Ranieri, G, Zhao, L, Bode, B, Meganathan, R, Walter, R.L, Hagen, T.J, Horn, J.R.
Deposit date:2016-07-26
Release date:2017-11-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.469 Å)
Cite:Synthesis and Characterization of the Burkholderia pseudomallei IspF Inhibitor L-tryptophan hydroxamate
To Be Published
5L12
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BU of 5l12 by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase from BURKHOLDERIA PSEUDOMALLEI double mutant
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION
Authors:Blain, J.M, Raneiri, G, Walter, R.L, Hagen, T.J, Horn, J.R.
Deposit date:2016-07-28
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.716 Å)
Cite:Enzyme Engineering for the Development of a High-Throughput Temperature Screen of Burkholderia pseudomallei IspF Inhibitors
To Be Published
4NW7
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BU of 4nw7 by Molmil
PDE4 catalytic domain
Descriptor: (4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Fox III, D, Edwards, T.E.
Deposit date:2013-12-05
Release date:2014-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of triazines as selective PDE4B versus PDE4D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
7TYQ
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BU of 7tyq by Molmil
TEAD2 bound to Compound 1
Descriptor: Transcriptional enhancer factor TEF-4, ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
Authors:Noland, C.L, Fong, R.
Deposit date:2022-02-14
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an expanded Hippo dependent landscape in cancers
To Be Published
7TYU
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BU of 7tyu by Molmil
TEAD2 bound to Compound 2
Descriptor: (3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional enhancer factor TEF-4
Authors:Noland, C.L, Fong, R.
Deposit date:2022-02-14
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an expanded Hippo dependent landscape in cancers
To Be Published
7TYP
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BU of 7typ by Molmil
TEAD2 bound to GNE-7883
Descriptor: (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional enhancer factor TEF-4
Authors:Noland, C.L, Fong, R.
Deposit date:2022-02-14
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an expanded Hippo dependent landscape in cancers
To Be Published
8V4R
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BU of 8v4r by Molmil
Crystal structure of Acetyl-CoA synthetase 2 in complex with AMP and CoA from Candida albicans
Descriptor: ACETIC ACID, ADENOSINE MONOPHOSPHATE, Acetyl-coenzyme A synthetase 2, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-29
Release date:2023-12-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A single Leishmania adenylate-forming enzyme of the ANL superfamily generates both acetyl- and acetoacetyl-CoA.
J.Biol.Chem., 300, 2024
3KE1
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BU of 3ke1 by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei in complex with a fragment-nucleoside fusion D000161829
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine, POTASSIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-23
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Bioorg.Med.Chem.Lett., 8, 2013
3MR1
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BU of 3mr1 by Molmil
Crystal structure of methionine aminopeptidase from Rickettsia prowazekii
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Methionine aminopeptidase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-04-28
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.
Bioorg.Med.Chem., 25, 2017
3MX6
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BU of 3mx6 by Molmil
Crystal structure of methionine aminopeptidase from Rickettsia prowazekii bound to methionine
Descriptor: MANGANESE (II) ION, METHIONINE, Methionine aminopeptidase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-05-06
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.
Bioorg.Med.Chem., 25, 2017
3Q8H
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BU of 3q8h by Molmil
Crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase from burkholderia pseudomallei in complex with cytidine derivative EBSI01028
Descriptor: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-06
Release date:2011-01-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Bioorg.Med.Chem.Lett., 23, 2013
6V3M
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BU of 6v3m by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in compomplex with ligand HGN-0961 (BSI110840)
Descriptor: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-11-26
Release date:2020-12-09
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Analysis of Burkholderia pseudomallei IspF in complex with sulfapyridine, sulfamonomethoxine, ethoxzolamide and acetazolamide.
Acta Crystallogr.,Sect.F, 81, 2025
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
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-18
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate from Coccidioides immitis RS
to be published
7L3P
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BU of 7l3p by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate and Co-enzyme A from Coccidioides immitis RS
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-12-18
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-methylphosphate from Coccidioides immitis RS
to be published
7L4G
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BU of 7l4g by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with acetyl adenylate from Cryptococcus neoformans H99
Descriptor: 1,2-ETHANEDIOL, Acetyl-coenzyme A synthetase, PHOSPHATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-12-19
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Acetyl-CoA synthetase in complex with acetyl adenylate from Cryptococcus neoformans H99
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
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(R)-hydroxy(methoxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-12-18
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-methylphosphate and Co-enzyme A from Coccidioides immitis RS
to be published
8SF3
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BU of 8sf3 by Molmil
Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (AMP, Acetate and CoA bound)
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-04-10
Release date:2023-04-19
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A single Leishmania adenylate-forming enzyme of the ANL superfamily generates both acetyl- and acetoacetyl-CoA.
J.Biol.Chem., 300, 2024
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
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-04-30
Release date:2021-05-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Bacterial structural genomics target enabled by a recently discovered potent fungal acetyl-CoA synthetase inhibitor.
Acta Crystallogr.,Sect.F, 2023
8U2T
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BU of 8u2t by Molmil
Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (CoA and AMP bound)
Descriptor: ADENOSINE MONOPHOSPHATE, Acetyl-coenzyme A synthetase, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-06
Release date:2023-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A single Leishmania adenylate-forming enzyme of the ANL superfamily generates both acetyl- and acetoacetyl-CoA.
J.Biol.Chem., 300, 2024
8U2U
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BU of 8u2u by Molmil
Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (CoA, AMP and potassium bound)
Descriptor: ADENOSINE MONOPHOSPHATE, Acetyl-coenzyme A synthetase, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-06
Release date:2023-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A single Leishmania adenylate-forming enzyme of the ANL superfamily generates both acetyl- and acetoacetyl-CoA.
J.Biol.Chem., 300, 2024
8U2S
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BU of 8u2s by Molmil
Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (Ethyl AMP bound, P21 form)
Descriptor: 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, CACODYLATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-06
Release date:2023-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:A single Leishmania adenylate-forming enzyme of the ANL superfamily generates both acetyl- and acetoacetyl-CoA.
J.Biol.Chem., 300, 2024
8U2R
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BU of 8u2r by Molmil
Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (Ethyl AMP bound)
Descriptor: 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, DI(HYDROXYETHYL)ETHER
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-06
Release date:2023-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A single Leishmania adenylate-forming enzyme of the ANL superfamily generates both acetyl- and acetoacetyl-CoA.
J.Biol.Chem., 300, 2024
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
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-29
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate and Co-enzyme A from Coccidioides immitis RS
to be published
7KNO
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BU of 7kno by Molmil
Crystal structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate from Cryptococcus neoformans var. grubii serotype A (H99)
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-05
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate from Cryptococcus neoformans var. grubii serotype A (H99)
to be published
7KNP
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BU of 7knp by Molmil
Crystal structure of Acetyl-CoA synthetase in complex with adenosine-5'-butylphosphate from Cryptococcus neoformans var. grubii serotype A (H99)
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-05
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of Acetyl-CoA synthetase in complex with adenosine-5'-butylphosphate from Cryptococcus neoformans var. grubii serotype A (H99)
To Be Published

 

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