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3FUE
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BU of 3fue by Molmil
Leukotriene A4 hydrolase in complex with fragment 5-chloroindole and bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-chloro-1H-indole, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3G4L
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BU of 3g4l by Molmil
Crystal structure of human phosphodiesterase 4d with roflumilast
Descriptor: 1,2-ETHANEDIOL, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ...
Authors:Staker, B.L.
Deposit date:2009-02-03
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
3G58
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BU of 3g58 by Molmil
Crystal structure of human phosphodiesterase 4d with d155988/pmnpq
Descriptor: 1,2-ETHANEDIOL, 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline, MAGNESIUM ION, ...
Authors:Staker, B.L.
Deposit date:2009-02-04
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
3FTY
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BU of 3fty by Molmil
Leukotriene A4 hydrolase in complex with fragment 3-(benzyloxy)pyridin-2-amine
Descriptor: 3-(BENZYLOXY)PYRIDIN-2-AMINE, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUF
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BU of 3fuf by Molmil
Leukotriene A4 hydrolase in complex with fragment 5-fluoroindole and bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-fluoro-1H-indole, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FU3
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BU of 3fu3 by Molmil
Leukotriene A4 hydrolase in complex with fragment 4-(2-amino-1,3-thiazol-4-yl)phenol
Descriptor: 4-(2-amino-1,3-thiazol-4-yl)phenol, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUK
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BU of 3fuk by Molmil
Leukotriene A4 hydrolase in complex with 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid
Descriptor: 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FTZ
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BU of 3ftz by Molmil
Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline
Descriptor: 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FTX
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BU of 3ftx by Molmil
Leukotriene A4 hydrolase in complex with dihydroresveratrol and bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol, ACETATE ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUI
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BU of 3fui by Molmil
Leukotriene A4 hydrolase in complex with N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
Descriptor: IMIDAZOLE, Leukotriene A-4 hydrolase, N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FU0
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BU of 3fu0 by Molmil
Leukotriene A4 hydrolase in complex with fragment 4-(4-fluorobenzoyl)pyridine
Descriptor: (4-fluorophenyl)(pyridin-4-yl)methanone, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUH
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BU of 3fuh by Molmil
Leukotriene A4 hydrolase in complex with fragment 5-hydroxyindole and bestatin
Descriptor: 1H-indol-5-ol, 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FU5
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BU of 3fu5 by Molmil
Leukotriene A4 hydrolase in complex with (5-thiophen-2-ylthiophen-2-yl)methylamine
Descriptor: 1-(2,2'-bithiophen-5-yl)methanamine, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUJ
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BU of 3fuj by Molmil
Leukotriene A4 hydrolase in complex with 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole
Descriptor: 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FTV
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BU of 3ftv by Molmil
Leukotriene A4 hydrolase in complex with fragment N-(pyridin-3-ylmethyl)aniline
Descriptor: IMIDAZOLE, Leukotriene A-4 hydrolase, N-(pyridin-3-ylmethyl)aniline, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUM
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BU of 3fum by Molmil
Leukotriene A4 hydrolase in complex with (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
Descriptor: (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3G45
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BU of 3g45 by Molmil
Crystal structure of human phosphodiesterase 4b with regulatory domain and d155988
Descriptor: 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline, MAGNESIUM ION, ZINC ION, ...
Authors:Staker, B.L.
Deposit date:2009-02-03
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
3HZG
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BU of 3hzg by Molmil
Crystal structure of mycobacterium tuberculosis thymidylate synthase X bound with FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, PHOSPHATE ION, ...
Authors:Staker, B.L, Rathod, P, Hunter, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-06-23
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3I3R
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BU of 3i3r by Molmil
X-ray structure dihydrofolate reductase/thymidylate synthase from babesia bovis at 2.35A resolution
Descriptor: CHLORIDE ION, Dihydrofolate reductase/thymidylate synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-06-30
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Inhibitor-bound complexes of dihydrofolate reductase-thymidylate synthase from Babesia bovis.
Acta Crystallogr.,Sect.F, 67, 2011
3HWI
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BU of 3hwi by Molmil
Crystal structure of probable thiosulfate sulfurtransferase Cysa2 (Rhodanese-like protein) from Mycobacterium tuberculosis
Descriptor: Thiosulfate sulfurtransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-06-17
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3GWE
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BU of 3gwe by Molmil
2.1 Angstrom crystal structure of 3-oxoacyl-(acyl-carrier-protein) synthase III
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) synthase III
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-31
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3GC0
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BU of 3gc0 by Molmil
Structure of the CMGC CDK Kinase from Giardia lamblia in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Kinase, CMGC CDK
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-02-20
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a cyclin-dependent kinase from Giardia lamblia.
Acta Crystallogr.,Sect.F, 67, 2011
3GNC
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BU of 3gnc by Molmil
Crystal structure of Glutaryl-COA dehydrogenase from Burkholderia Pseudomallei with fragment 6421
Descriptor: 1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glutaryl-CoA dehydrogenase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-16
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening.
Acta Crystallogr.,Sect.F, 67, 2011
3GTD
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BU of 3gtd by Molmil
2.4 Angstrom crystal structure of fumarate hydratase from Rickettsia prowazekii
Descriptor: Fumarate hydratase class II, MALONATE ION, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-27
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of fumarate hydratase from Rickettsia prowazekii, the agent of typhus and suspected relative of the mitochondria.
Acta Crystallogr.,Sect.F, 67, 2011
3GVC
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BU of 3gvc by Molmil
Crystal structure of probable short-chain dehydrogenase-reductase from Mycobacterium tuberculosis
Descriptor: Probable short-chain type dehydrogenase/reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-30
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015

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