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5TS2
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BU of 5ts2 by Molmil
Crystal structure of a phosphopantetheine adenylyltransferase (CoaD, PPAT) from Pseudomonas aeruginosa bound to dephospho coenzyme A
Descriptor: CALCIUM ION, CHLORIDE ION, DEPHOSPHO COENZYME A, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-10-27
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a phosphopantetheine adenylyltransferase (CoaD, PPAT) from Pseudomonas aeruginosa bound to dephospho coenzyme A
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
Descriptor: 4-(5-chlorothiophen-2-yl)-1H-pyrazole, Polymerase acidic protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-02-28
Release date:2017-03-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase
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
Descriptor: 1H,3H-naphtho[1,8-cd]pyran-1-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable nicotinate-nucleotide adenylyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-04-17
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of probable nicotinate-nucleotide adenylyltransferase from Mycobacterium abcesus in complex with NADP and compound FOL0091
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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Acetoacetyl-CoA reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-05-15
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Acetoacetyl-CoA Reductase from Burkholderia pseudomallei 1710b complexed with NADP
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
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
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
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
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
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
7SY9
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BU of 7sy9 by Molmil
Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1
Descriptor: ACETATE ION, FORMIC ACID, UDP-N-acetylmuramoylalanine--D-glutamate ligase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-11-24
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-15
Release date:2022-01-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Phosphoserine aminotransferase from Klebsiella pneumoniae subsp. pneumoniae in complex with Pyridoxal phosphate
to be published
6V91
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BU of 6v91 by Molmil
Crystal structure of Stringent starvation protein A (BTH_I2974) from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, FORMIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-12-12
Release date:2020-01-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Stringent starvation protein A (BTH_I2974) from Burkholderia thailandensis
to be published
7U5Q
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BU of 7u5q by Molmil
Crystal structure of transcriptional regulator, GntR family, from Brucella melitensis
Descriptor: BROMIDE ION, Transcriptional regulator, GntR family protein, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-03-02
Release date:2022-03-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of transcriptional regulator, GntR family, from Brucella melitensis
To be Published
7U5Y
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BU of 7u5y by Molmil
Crystal structure of ribulose-phosphate 3-epimerase from Pseudomonas aeruginosa
Descriptor: Ribulose-phosphate 3-epimerase, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-03-02
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of ribulose-phosphate 3-epimerase from Pseudomonas aeruginosa
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
6VJU
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BU of 6vju by Molmil
Crystal Structure of Cystathionine beta synthase from Legionella pneumophila with LLP, PLP, and homocysteine
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, ACETATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-01-17
Release date:2020-02-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Cystathionine beta synthase from Legionella pneumophila with LLP, PLP, and homocysteine
to be published
6W2O
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BU of 6w2o by Molmil
Crystal structure of uroporphyrinogen III decarboxylate (hemE) from Stenotrophomonas maltophilia
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-03-06
Release date:2020-04-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of uroporphyrinogen III decarboxylate (hemE) from Stenotrophomonas maltophilia
To Be Published
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
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
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:2019-03-20
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
1AGQ
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BU of 1agq by Molmil
GLIAL CELL-DERIVED NEUROTROPHIC FACTOR FROM RAT
Descriptor: GLIAL CELL-DERIVED NEUROTROPHIC FACTOR
Authors:Eigenbrot, C, Gerber, N.
Deposit date:1997-03-25
Release date:1997-06-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structure of glial cell-derived neurotrophic factor at 1.9 A resolution and implications for receptor binding.
Nat.Struct.Biol., 4, 1997
6OP0
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BU of 6op0 by Molmil
Asymmetric hTNF-alpha
Descriptor: (R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, Tumor necrosis factor
Authors:Arakaki, T.L, Edwards, T.E, Fairman, J.W, Davies, D.R, Foley, A, Ceska, T.
Deposit date:2019-04-23
Release date:2019-12-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer.
Nat Commun, 10, 2019
7K86
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BU of 7k86 by Molmil
Crystal Structure of Glutamyl-tRNA synthetase (gltX) from Stenotrophomonas maltophilia
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glutamate--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-25
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Glutamyl-tRNA synthetase (gltX) from Stenotrophomonas maltophilia
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
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
7L9R
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BU of 7l9r by Molmil
Crystal Structure of a putative deoxyhypusine synthase from Entamoeba histolytica
Descriptor: CHLORIDE ION, Deoxyhypusine synthase, putative
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-01-04
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of a putative deoxyhypusine synthase from Entamoeba histolytica
to be published

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