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5W8J
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BU of 5w8j by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29
Descriptor: 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Lukacs, C.M, Moulin, A.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
7MFC
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BU of 7mfc by Molmil
Crystal structure of CSF1R in complex with vimseltinib
Descriptor: Macrophage colony-stimulating factor 1 receptor, Vimseltinib
Authors:Abendroth, J, Davies, D.R, Atkins, K.
Deposit date:2021-04-08
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Vimseltinib: A Precision CSF1R Therapy for Tenosynovial Giant Cell Tumors and Diseases Promoted by Macrophages.
Mol.Cancer Ther., 20, 2021
6XK2
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BU of 6xk2 by Molmil
Crystal structure of Ribokinase from Cryptococcus neoformans var. grubii serotype A in complex with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Ribokinase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-06-25
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Ribokinase from Cryptococcus neoformans var. grubii serotype A in complex with ADP
to be published
5DXD
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BU of 5dxd by Molmil
Crystal structure of Putative beta-glucanase (Rv0315 ortholog) from Mycobacterium abscessus
Descriptor: Putative beta-glucanase, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-09-23
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Putative beta-glucanase (Rv0315 ortholog) from Mycobacterium abcesus
to be published
5DLE
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BU of 5dle by Molmil
Crystal structure from a domain (Thr161-F265) from fructose-specific iiabc component (Pts system) from Borrelia burgdorferi
Descriptor: CHLORIDE ION, IMIDAZOLE, Pts system, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-09-04
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure from a domain (Thr161-F265) from fructose-specific iiabc component (Pts system) from Borrelia burgdorferi
to be published
5W8K
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BU of 5w8k by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH
Descriptor: 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, ...
Authors:Lukacs, C.M, Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Lukacs, C.M, Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Lukacs, C.M, Abendroth, J.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
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
Descriptor: 8-amino-7-oxononanoate synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-09-10
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of a 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase from Mycobacterium smegmatis
to be published
4TVI
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BU of 4tvi by Molmil
X-ray crystal structure of an aminotransferase from Brucella abortus bound to the co-factor PLP
Descriptor: 1,2-ETHANEDIOL, Aminotransferase, class IV
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-06-27
Release date:2014-07-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystal structure of an aminotransferase from Brucella abortus bound to the co-factor PLP
To Be Published
8CSO
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BU of 8cso by Molmil
Crystal Structure of Orotidine 5'-phosphate decarboxylase from Klebsiella pneumoniae in complex with Uridine-5'-monophosphate
Descriptor: 1,2-ETHANEDIOL, Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-05-13
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Orotidine 5'-phosphate decarboxylase from Klebsiella pneumoniae in complex with Guanosine-5'-monophosphate
to be published
8D57
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BU of 8d57 by Molmil
Crystal Structure of dihydrodipicolinate reductase from Acinetobacter baumannii
Descriptor: 4-hydroxy-tetrahydrodipicolinate reductase, CITRIC ACID
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-06-04
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of dihydrodipicolinate reductase from Acinetobacter baumannii
to be published
8DU0
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BU of 8du0 by Molmil
Crystal Structure of NADP bound GDP-L-fucose synthase from Brucella ovis
Descriptor: GDP-L-fucose synthase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-26
Release date:2022-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of NADP bound GDP-L-fucose synthase from Brucella ovis
to be published
6EP9
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BU of 6ep9 by Molmil
Crystal structure of BTK kinase domain complexed with N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
Descriptor: N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2017-10-11
Release date:2018-08-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J.Comput.Aided Mol.Des., 33, 2019
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
Descriptor: 2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-(1H-IMIDAZOL-1-YL)PHENOL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-25
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
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
Descriptor: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-04-28
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a response regulator protein from Burkholderia pseudomallei with a phosphorylated aspartic acid, calcium ion and citrate
To be Published
1BKS
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BU of 1bks by Molmil
TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) FROM SALMONELLA TYPHIMURIUM
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE
Authors:Hyde, C.C.
Deposit date:1998-07-10
Release date:1999-03-23
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex.
Biochemistry, 35, 1996
1IOB
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BU of 1iob by Molmil
INTERLEUKIN-1 BETA FROM JOINT X-RAY AND NMR REFINEMENT
Descriptor: INTERLEUKIN-1 BETA
Authors:Shaanan, B, Clore, G.M.
Deposit date:1996-03-14
Release date:1996-08-17
Last modified:2024-05-01
Method:SOLUTION NMR (2 Å), X-RAY DIFFRACTION
Cite:Combining experimental information from crystal and solution studies: joint X-ray and NMR refinement.
Science, 257, 1992
7N4D
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BU of 7n4d by Molmil
Translation initiation factor eif-5a family protein from Naegleria fowleri ATCC 30863
Descriptor: Eukaryotic translation initiation factor 5A
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-03
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Translation initiation factor eif-5a family protein from Naegleria fowleri ATCC 30863
to be published
6UDF
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BU of 6udf by Molmil
Crystal structure of Enoyl-[acyl-carrier-protein] reductase [NADH] (InhA) from Mycobacterium kansasii
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], FORMIC ACID
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-09-19
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal stucture of Enoyl-[acyl-carrier-protein] reductase [NADH] (InhA) from Mycobacterium kansasii
to be published
1DMA
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BU of 1dma by Molmil
DOMAIN III OF PSEUDOMONAS AERUGINOSA EXOTOXIN COMPLEXED WITH NICOTINAMIDE AND AMP
Descriptor: ADENOSINE MONOPHOSPHATE, EXOTOXIN A, NICOTINAMIDE
Authors:Li, M, Dyda, F, Benhar, I, Pastan, I, Davies, D.
Deposit date:1995-04-28
Release date:1995-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of Pseudomonas aeruginosa exotoxin domain III with nicotinamide and AMP: conformational differences with the intact exotoxin.
Proc.Natl.Acad.Sci.USA, 92, 1995
6I9J
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BU of 6i9j by Molmil
Human transforming growth factor beta2 in a tetragonal crystal form
Descriptor: Transforming growth factor beta-2 proprotein
Authors:Gomis-Ruth, F.X, Marino-Puertas, L, del Amo-Maestro, L, Goulas, T.
Deposit date:2018-11-23
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recombinant production, purification, crystallization, and structure analysis of human transforming growth factor beta 2 in a new conformation.
Sci Rep, 9, 2019
1BL0
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BU of 1bl0 by Molmil
MULTIPLE ANTIBIOTIC RESISTANCE PROTEIN (MARA)/DNA COMPLEX
Descriptor: DNA (5'-D(*CP*CP*GP*AP*TP*GP*CP*CP*AP*CP*GP*TP*TP*TP*TP*GP*CP*TP*AP*AP*AP*TP* CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*AP*TP*TP*TP*AP*GP*CP*AP*AP*AP*AP*CP*GP*TP*GP*GP*CP*AP* TP*C)-3'), PROTEIN (MULTIPLE ANTIBIOTIC RESISTANCE PROTEIN)
Authors:Davies, S, Rhee, R.G, Martin, J.L, Rosner, D.R.
Deposit date:1998-07-22
Release date:1998-09-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A novel DNA-binding motif in MarA: the first structure for an AraC family transcriptional activator.
Proc.Natl.Acad.Sci.USA, 95, 1998
3EOM
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BU of 3eom by Molmil
2.4 A crystal structure of native glutaryl-coa dehydrogenase from Burkholderia pseudomallei
Descriptor: Glutaryl-CoA dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-09-28
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening.
Acta Crystallogr.,Sect.F, 67, 2011
3GQT
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BU of 3gqt by Molmil
Crystal structure of glutaryl-CoA dehydrogenase from Burkholderia pseudomallei with fragment (1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methylamine
Descriptor: 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine, Glutaryl-CoA dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-24
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening.
Acta Crystallogr.,Sect.F, 67, 2011

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