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3LKJ
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Small Molecule Inhibition of the TNF Family Cyokine CD40 Ligand Through a Subunit Fracture Mechanism
Descriptor: (2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD40 ligand
Authors:Silvian, L.F, Whitty, A.
Deposit date:2010-01-27
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Small Molecule Inhibition of the TNF Family Cytokine CD40 Ligand through a Subunit Fracture Mechanism.
Acs Chem.Biol., 6, 2011
2ZGW
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BU of 2zgw by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii Complexed with Adenosine and Biotin, Mutations R48A and K111A
Descriptor: ADENOSINE, BIOTIN, biotin--[acetyl-CoA-carboxylase] ligase
Authors:Bagautdinov, B, Matsuura, Y, Bagautdinova, S, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-01-28
Release date:2008-02-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein biotinylation visualized by a complex structure of biotin protein ligase with a substrate
J.Biol.Chem., 283, 2008
3MXG
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Structure of Shiga Toxin type 2 (Stx2) B Pentamer Mutant Q40L
Descriptor: D-xylose, Shiga-like toxin 2 subunit B
Authors:Kovall, R.A, Vander Wielen, B.D, Friedmann, D.R, Flagler, M.J.
Deposit date:2010-05-07
Release date:2011-01-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular basis of differential B-pentamer stability of Shiga toxins 1 and 2.
Plos One, 5, 2010
3L0S
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BU of 3l0s by Molmil
Crystal structures of Zinc, Cobalt and Iron containing Adenylate kinase from Gram-negative bacteria Desulfovibrio gigas
Descriptor: Adenylate kinase, COBALT (II) ION, D(-)-TARTARIC ACID
Authors:Mukhopadhyay, A, Trincao, J, Romao, M.J.
Deposit date:2009-12-10
Release date:2010-12-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the zinc-, cobalt-, and iron-containing adenylate kinase from Desulfovibrio gigas: a novel metal-containing adenylate kinase from Gram-negative bacteria
J.Biol.Inorg.Chem., 16, 2011
4BMA
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BU of 4bma by Molmil
structural of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase
Descriptor: GLYCEROL, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE
Authors:Fang, W, Raimi, O.G, HurtadoGuerrero, R, vanAalten, D.M.F.
Deposit date:2013-05-07
Release date:2013-05-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Genetic and Structural Validation of Aspergillus Fumigatus Udp-N-Acetylglucosamine Pyrophosphorylase as an Antifungal Target.
Mol.Microbiol., 89, 2013
2ICT
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BU of 2ict by Molmil
Crystal structure of the bacterial antitoxin HigA from Escherichia coli at pH 8.5. Northeast Structural Genomics TARGET ER390.
Descriptor: antitoxin higa
Authors:Arbing, M.A, Abashidze, M, Hurley, J.M, Zhao, L, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Inouye, M, Woychik, N.A, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-09-13
Release date:2006-09-26
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
4HEQ
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BU of 4heq by Molmil
The crystal structure of flavodoxin from Desulfovibrio gigas
Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin
Authors:Hsieh, Y.C, Chen, C.J.
Deposit date:2012-10-04
Release date:2013-01-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Dimeric Flavodoxin from Desulfovibrio gigas Suggests a Potential Binding Region for the Electron-Transferring Partner
Int J Mol Sci, 14, 2013
3L0P
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BU of 3l0p by Molmil
Crystal structures of Iron containing Adenylate kinase from Desulfovibrio gigas
Descriptor: Adenylate kinase, FE (III) ION, GLYCEROL
Authors:Mukhopadhyay, A, Trincao, J, Romao, M.J.
Deposit date:2009-12-10
Release date:2010-12-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the zinc-, cobalt-, and iron-containing adenylate kinase from Desulfovibrio gigas: a novel metal-containing adenylate kinase from Gram-negative bacteria
J.Biol.Inorg.Chem., 16, 2011
2C3B
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BU of 2c3b by Molmil
The Crystal Structure of Aspergillus fumigatus Cyclophilin reveals 3D Domain Swapping of a Central Element
Descriptor: PPIASE, SULFATE ION
Authors:Limacher, A, Kloer, D.P, Fluckiger, S, Folkers, G, Crameri, R, Scapozza, L.
Deposit date:2005-10-05
Release date:2006-01-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Crystal Structure of Aspergillus Fumigatus Cyclophilin Reveals 3D Domain Swapping of a Central Element
Structure, 14, 2006
5AF7
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BU of 5af7 by Molmil
3-Sulfinopropionyl-coenzyme A (3SP-CoA) desulfinase from Advenella mimigardefordensis DPN7T: crystal structure and function of a desulfinase with an acyl-CoA dehydrogenase fold. Native crystal structure
Descriptor: ACYL-COA DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A.
Deposit date:2015-01-20
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold.
Acta Crystallogr.,Sect.D, 71, 2015
3UTE
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BU of 3ute by Molmil
Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase sulfate complex
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Dhatwalia, R, Singh, H, Tanner, J.J.
Deposit date:2011-11-25
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
2B68
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BU of 2b68 by Molmil
Solution structure of the recombinant Crassostrea gigas defensin
Descriptor: defensin
Authors:Gueguen, Y, Amaury, H, Aumelas, A, Garnier, J, Fievet, J, Escoubas, J.M, Bulet, P, Gonzales, M, Lelong, C, Favrel, P, Bachere, E.
Deposit date:2005-09-30
Release date:2005-11-29
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Characterization of a Defensin from the Oyster Crassostrea gigas: recombinant production, folding, solution structure, antimicrobial activities and gene expression
J.Biol.Chem., 281, 2006
3UKL
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BU of 3ukl by Molmil
Crystal structure of UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDP
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, ...
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2011-11-09
Release date:2012-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UTF
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BU of 3utf by Molmil
Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase in reduced state
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase
Authors:Dhatwalia, R, Singh, H, Tanner, J.J.
Deposit date:2011-11-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UKK
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BU of 3ukk by Molmil
Crystal structure of R182K-UDP-galactopuranose mutase from Aspergillus fumigatus in complex with UDPgalp
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, ...
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2011-11-09
Release date:2012-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UKQ
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BU of 3ukq by Molmil
Crystal structure of R327K UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDPgalp
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, UDP-galactopyranose mutase
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2011-11-09
Release date:2012-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UTG
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BU of 3utg by Molmil
Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with UDP in reduced state
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ...
Authors:Dhatwalia, R, Singh, H, Tanner, J.J.
Deposit date:2011-11-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UKA
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BU of 3uka by Molmil
CRYSTAL STRUCTURE OF UDP-galactopyranose mutase from Aspergillus fumigatus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2011-11-09
Release date:2012-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UTH
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BU of 3uth by Molmil
Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with substrate UDP-Galp in reduced state
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, SULFATE ION, ...
Authors:Dhatwalia, R, Singh, H, Tanner, J.J.
Deposit date:2011-11-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3QGH
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BU of 3qgh by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase genotype 1a complex with N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
Descriptor: N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase
Authors:Sheriff, S.
Deposit date:2011-01-24
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
3QGI
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BU of 3qgi by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase genotype 1a complex with N-[(2S)-butan-2-yl]-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
Descriptor: GLYCEROL, N-[(2S)-butan-2-yl]-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide, RNA-directed RNA polymerase
Authors:Sheriff, S.
Deposit date:2011-01-24
Release date:2011-04-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
3QGF
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BU of 3qgf by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and (2R)-4-(6-chloropyridazin-3-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, (2R)-4-(6-chloropyridazin-3-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide, RNA-directed RNA polymerase, ...
Authors:Sheriff, S.
Deposit date:2011-01-24
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
4L9P
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BU of 4l9p by Molmil
Crystal structure of Aspergillus fumigatus protein farnesyltransferase complexed with the FII analog, FPT-II, and the KCVVM peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CaaX farnesyltransferase alpha subunit Ram2, ...
Authors:Mabanglo, M.F, Hast, M.A, Beese, L.S.
Deposit date:2013-06-18
Release date:2014-01-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
4LNG
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Aspergillus fumigatus protein farnesyltransferase complex with farnesyldiphosphate and tipifarnib
Descriptor: 1,2-ETHANEDIOL, 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, CaaX farnesyltransferase alpha subunit Ram2, ...
Authors:Mabanglo, M.F, Hast, M.A, Beese, L.S.
Deposit date:2013-07-11
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
4LNB
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Aspergillus fumigatus protein farnesyltransferase ternary complex with farnesyldiphosphate and ethylenediamine scaffold inhibitor 5
Descriptor: 1,2-ETHANEDIOL, CaaX farnesyltransferase alpha subunit Ram2, CaaX farnesyltransferase beta subunit Ram1, ...
Authors:Mabanglo, M.F, Hast, M.A, Beese, L.S.
Deposit date:2013-07-11
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014

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