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3P0Z
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BU of 3p0z by Molmil
Crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytidine and FOL955, 4-(1H-imidazol)-1-yl)phenol
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-(1H-IMIDAZOL-1-YL)PHENOL, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-09-29
公開日2010-10-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
4DLP
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BU of 4dlp by Molmil
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis bound to selenomethionine
分子名称: Aminoacyl-tRNA synthetase, class I:Aminoacyl-tRNA synthetase, class Ia:Methionyl-tRNA synthetase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-02-06
公開日2012-02-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.
Plos One, 11, 2016
7MFC
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BU of 7mfc by Molmil
Crystal structure of CSF1R in complex with vimseltinib
分子名称: Macrophage colony-stimulating factor 1 receptor, Vimseltinib
著者Abendroth, J, Davies, D.R, Atkins, K.
登録日2021-04-08
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Vimseltinib: A Precision CSF1R Therapy for Tenosynovial Giant Cell Tumors and Diseases Promoted by Macrophages.
Mol.Cancer Ther., 20, 2021
4DZ6
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BU of 4dz6 by Molmil
Transition state mimic of nucleoside-diphosphate kinase from borrelia burgdorferi with bound vanadate and adp
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-02-29
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and analysis of nucleoside diphosphate kinase from Borrelia burgdorferi prepared in a transition-state complex with ADP and vanadate moieties.
Acta Crystallogr F Struct Biol Commun, 74, 2018
4DI6
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BU of 4di6 by Molmil
crystal structure of nucleoside-diphosphate kinase from Borrelia burgdorferi
分子名称: Nucleoside diphosphate kinase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-01-30
公開日2012-02-08
最終更新日2018-06-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and analysis of nucleoside diphosphate kinase from Borrelia burgdorferi prepared in a transition-state complex with ADP and vanadate moieties.
Acta Crystallogr F Struct Biol Commun, 74, 2018
3QHD
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BU of 3qhd by Molmil
Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to CYTIDINE, FOL795 and FOL955
分子名称: 2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-(1H-IMIDAZOL-1-YL)PHENOL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-01-25
公開日2011-02-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
5HAL
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BU of 5hal by Molmil
Crystal Structure of a putative beta-lactamase from Burkholderia vietnamiensis
分子名称: 1,2-ETHANEDIOL, Uncharacterized protein
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-12-30
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1507 Å)
主引用文献Crystal Structure of a putative beta-lactamase from Burkholderia vietnamiensis
to be published
3RQI
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BU of 3rqi by Molmil
Crystal structure of a response regulator protein from Burkholderia pseudomallei with a phosphorylated aspartic acid, calcium ion and citrate
分子名称: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-04-28
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a response regulator protein from Burkholderia pseudomallei with a phosphorylated aspartic acid, calcium ion and citrate
To be Published
5IEQ
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BU of 5ieq by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-747 1-(4-chlorophenyl)-1H-imidazole
分子名称: 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE, DIMETHYL SULFOXIDE, Polymerase acidic protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-02-25
公開日2017-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
5IF2
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BU of 5if2 by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-576 (5,6-dichloro-1H-1,3-benzodiazol-2-yl)methanol
分子名称: (5,6-dichloro-1H-benzimidazol-2-yl)methanol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-02-25
公開日2017-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
5IFD
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BU of 5ifd by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4721 1-(4-fluorophenyl)-1H-imidazole
分子名称: 1-(4-fluorophenyl)-1H-imidazole, DIMETHYL SULFOXIDE, Polymerase acidic protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-02-25
公開日2017-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
4F2N
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BU of 4f2n by Molmil
Crystal structure of iron superoxide dismutase from Leishmania major
分子名称: FE (II) ION, Superoxide dismutase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-05-08
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4F82
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BU of 4f82 by Molmil
X-ray crystal structure of a putative thioredoxin reductase from Burkholderia cenocepacia
分子名称: Thioredoxin Reductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-05-16
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-ray crystal structure of a putative thioredoxin reductase from Burkholderia cenocepacia
TO BE PUBLISHED
5IF5
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BU of 5if5 by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to EBSI-39 (2,3-dichlorophenyl)methanol
分子名称: (2,3-dichlorophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-02-25
公開日2017-03-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
5IFC
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BU of 5ifc by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4720 1-(4-bromophenyl)-1H-imidazole
分子名称: 1-(4-bromophenyl)-1H-imidazole, DIMETHYL SULFOXIDE, Polymerase acidic protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-02-25
公開日2017-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
5IF8
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BU of 5if8 by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-2643 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
分子名称: 1,2-ETHANEDIOL, 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-02-25
公開日2017-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
5IF7
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BU of 5if7 by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-279 N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
分子名称: DIMETHYL SULFOXIDE, N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Polymerase acidic protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-02-25
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
4G6C
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BU of 4g6c by Molmil
Crystal structure of beta-hexosaminidase 1 from Burkholderia cenocepacia J2315
分子名称: Beta-hexosaminidase 1
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-07-18
公開日2012-08-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Crystal structure of beta-hexosaminidase 1 from Burkholderia cenocepacia J2315
To be Published
7S5M
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BU of 7s5m by Molmil
Crystal Structure of a 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase from Mycobacterium smegmatis
分子名称: 8-amino-7-oxononanoate synthase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-09-10
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of a 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase from Mycobacterium smegmatis
to be published
7SY9
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BU of 7sy9 by Molmil
Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1
分子名称: ACETATE ION, FORMIC ACID, UDP-N-acetylmuramoylalanine--D-glutamate ligase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-11-24
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1
to be published
7T7J
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BU of 7t7j by Molmil
Crystal Structure of Phosphoserine aminotransferase from Klebsiella pneumoniae subsp. pneumoniae in complex with Pyridoxal phosphate
分子名称: PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-12-15
公開日2022-01-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Phosphoserine aminotransferase from Klebsiella pneumoniae subsp. pneumoniae in complex with Pyridoxal phosphate
to be published
7K86
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BU of 7k86 by Molmil
Crystal Structure of Glutamyl-tRNA synthetase (gltX) from Stenotrophomonas maltophilia
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Glutamate--tRNA ligase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-25
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of Glutamyl-tRNA synthetase (gltX) from Stenotrophomonas maltophilia
to be published
7L9R
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BU of 7l9r by Molmil
Crystal Structure of a putative deoxyhypusine synthase from Entamoeba histolytica
分子名称: CHLORIDE ION, Deoxyhypusine synthase, putative
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-01-04
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of a putative deoxyhypusine synthase from Entamoeba histolytica
to be published
6BKW
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BU of 6bkw by Molmil
BTK complex with compound 12
分子名称: GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ...
著者Kiefer, J.R, Eigenbrot, C, Yu, C.L.
登録日2017-11-09
公開日2018-11-07
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
6BQA
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BU of 6bqa by Molmil
BRD9 bromodomain in complex with 3-(6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide
分子名称: 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Bromodomain-containing protein 9
著者Murray, J.M, Tang, Y.
登録日2017-11-27
公開日2018-11-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.031 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019

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