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8DU0
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BU of 8du0 by Molmil
Crystal Structure of NADP bound GDP-L-fucose synthase from Brucella ovis
分子名称: GDP-L-fucose synthase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-07-26
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of NADP bound GDP-L-fucose synthase from Brucella ovis
to be published
5V0U
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BU of 5v0u by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4723 4-(5-chlorothiophen-2-yl)-1H-pyrazole
分子名称: 4-(5-chlorothiophen-2-yl)-1H-pyrazole, Polymerase acidic protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-02-28
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase
To Be Published
5VT6
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BU of 5vt6 by Molmil
Crystal structure of Acetoacetyl-CoA Reductase from Burkholderia pseudomallei 1710b complexed with NADP
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Acetoacetyl-CoA reductase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-05-15
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Acetoacetyl-CoA Reductase from Burkholderia pseudomallei 1710b complexed with NADP
To be Published
5VIR
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BU of 5vir by Molmil
Crystal structure of probable nicotinate-nucleotide adenylyltransferase from Mycobacterium abscessus in complex with NADP and compound FOL0091
分子名称: 1H,3H-naphtho[1,8-cd]pyran-1-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable nicotinate-nucleotide adenylyltransferase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-04-17
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of probable nicotinate-nucleotide adenylyltransferase from Mycobacterium abcesus in complex with NADP and compound FOL0091
to be published
5W8J
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BU of 5w8j by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29
分子名称: 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Lukacs, C.M, Moulin, A.
登録日2017-06-21
公開日2018-01-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8K
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BU of 5w8k by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
著者Lukacs, C.M, Dranow, D.M.
登録日2017-06-21
公開日2018-01-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8I
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BU of 5w8i by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc
分子名称: 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ...
著者Lukacs, C.M, Abendroth, J.
登録日2017-06-21
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8H
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BU of 5w8h by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11
分子名称: 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Lukacs, C.M, Dranow, D.M.
登録日2017-06-21
公開日2018-01-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
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
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
4FUR
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BU of 4fur by Molmil
Crystal Structure of Urease subunit gamma 2 from Brucella melitensis biovar Abortus 2308
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Urease subunit gamma 2
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-06-28
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Urease subunit gamma 2 from Brucella melitensis biovar Abortus 2308
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
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2024-10-30
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2024-11-27
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
4H3E
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BU of 4h3e by Molmil
Crystal structure of a putative iron superoxide dismutase from Trypanosoma cruzi bound to iron
分子名称: FE (II) ION, Superoxide dismutase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-09-13
公開日2012-09-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 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
1IOB
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BU of 1iob by Molmil
INTERLEUKIN-1 BETA FROM JOINT X-RAY AND NMR REFINEMENT
分子名称: INTERLEUKIN-1 BETA
著者Shaanan, B, Clore, G.M.
登録日1996-03-14
公開日1996-08-17
最終更新日2024-05-01
実験手法SOLUTION NMR (2 Å), X-RAY DIFFRACTION
主引用文献Combining experimental information from crystal and solution studies: joint X-ray and NMR refinement.
Science, 257, 1992
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2025-04-02
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
3IUR
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BU of 3iur by Molmil
apPEP_D266Nx+H2H3 opened state
分子名称: GLYCEROL, H2H3 helices from villin headpiece subdomain HP35, POLYETHYLENE GLYCOL (N=34), ...
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IVM
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BU of 3ivm by Molmil
apPEP_WT+PP closed state
分子名称: N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, prolyl endopeptidase
著者Chiu, T.K.
登録日2009-09-01
公開日2010-05-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUQ
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BU of 3iuq by Molmil
apPEP_D622N+PP closed state
分子名称: GLYCEROL, N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, Prolyl Endopeptidase
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUL
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BU of 3iul by Molmil
apPEP_WT1 opened state
分子名称: GLYCEROL, Prolyl endopeptidase
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IEW
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BU of 3iew by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with bound CTP and CDP
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-DIPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Staker, B.L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-07-23
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 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
3IKE
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BU of 3ike by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-AMINOPYRIMIDIN-2(1H)-ONE, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-08-05
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 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

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件を2025-07-09に公開中

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