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3QGG
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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 N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-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, N-cyclopropyl-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:2023-09-13
Method:X-RAY DIFFRACTION (3.22 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
1RDG
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RUBREDOXIN FROM DESULFOVIBRIO GIGAS. A MOLECULAR MODEL OF THE OXIDIZED FORM AT 1.4 ANGSTROMS RESOLUTION
Descriptor: FE (III) ION, FORMYL GROUP, RUBREDOXIN
Authors:Frey, M, Sieker, L.C, Payan, F.
Deposit date:1988-03-17
Release date:1989-04-19
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Rubredoxin from Desulfovibrio gigas. A molecular model of the oxidized form at 1.4 A resolution.
J.Mol.Biol., 197, 1987
4MBG
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Crystal structure of Aspergillus fumigatus protein farnesyltransferase binary complex with farnesyldiphosphate
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:2013-08-19
Release date:2014-01-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.74 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
3QGD
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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-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)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-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)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 (2.6 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
1QWO
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Crystal structure of a phosphorylated phytase from Aspergillus fumigatus, revealing the structural basis for its heat resilience and catalytic pathway
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, phytase
Authors:Xiang, T, Liu, Q, Deacon, A.M, Koshy, M, Kriksunov, I.A, Lei, X.G, Hao, Q, Thiel, D.J.
Deposit date:2003-09-03
Release date:2004-06-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of a Heat-resilient Phytase from Aspergillus fumigatus, Carrying a Phosphorylated Histidine
J.Mol.Biol., 339, 2004
1W9V
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Specificity and affinity of natural product cyclopentapeptide argifin against Aspergillus fumigatus
Descriptor: ARGIFIN, CHITINASE, SULFATE ION
Authors:Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, van Aalten, D.M.F.
Deposit date:2004-10-19
Release date:2005-01-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1E5D
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RUBREDOXIN OXYGEN:OXIDOREDUCTASE (ROO) FROM ANAEROBE DESULFOVIBRIO GIGAS
Descriptor: FLAVIN MONONUCLEOTIDE, MU-OXO-DIIRON, OXYGEN MOLECULE, ...
Authors:Frazao, C, Silva, G, Gomes, C.M, Matias, P, Coelho, R, Sieker, L, Macedo, S, Liu, M.Y, Oliveira, S, Teixeira, M, Xavier, A.V, Rodrigues-Pousada, C, Carrondo, M.A, Le Gall, J.
Deposit date:2000-07-24
Release date:2000-11-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a Dioxygen Reduction Enzyme from Desulfovibrio Gigas
Nat.Struct.Biol., 7, 2000
1W9U
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Specificity and affnity of natural product cyclopentapeptide inhibitor Argadin against Aspergillus fumigatus chitinase
Descriptor: ARGADIN, CHITINASE, SULFATE ION
Authors:Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, van Aalten, D.M.F.
Deposit date:2004-10-19
Release date:2004-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1W9P
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Specificity and affinity of natural product cyclopentapeptide inhibitors against Aspergillus fumigatus, human and bacterial chitinaseFra
Descriptor: CHITINASE, SULFATE ION
Authors:Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, Van Aalten, D.M.F.
Deposit date:2004-10-15
Release date:2004-10-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
5UBM
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BU of 5ubm by Molmil
Crystal structure of human C1s in complex with inhibitor gigastasin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C1s subcomponent, Gigastasin
Authors:Pang, S.S, Whisstock, J.C.
Deposit date:2016-12-20
Release date:2017-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Structural Basis for Complement Inhibition by Gigastasin, a Protease Inhibitor from the Giant Amazon Leech.
J. Immunol., 199, 2017
1WNO
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Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ...
Authors:Hu, H, Wang, G, Yang, H, Zhou, J, Mo, L, Yang, K, Jin, C, Jin, C, Rao, Z.
Deposit date:2004-08-07
Release date:2005-03-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407
To be Published
4QNW
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Crystal structure of EasA, an old yellow enzyme from Aspergillus fumigatus
Descriptor: Chanoclavine-I aldehyde reductase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Lamb, A.L.
Deposit date:2014-06-18
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of an Aspergillus fumigatus old yellow enzyme (EasA) involved in ergot alkaloid biosynthesis.
Acta Crystallogr.,Sect.F, 70, 2014
4JC1
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BU of 4jc1 by Molmil
Galectin-3 carbohydrate recognition domain in complex with thiodigalactoside
Descriptor: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose
Authors:Collins, P.M, Blanchard, H.
Deposit date:2013-02-21
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Investigation into the feasibility of thioditaloside as a novel scaffold for galectin-3-specific inhibitors.
Chembiochem, 14, 2013
1KKC
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Crystal structure of Aspergillus fumigatus MnSOD
Descriptor: MANGANESE (II) ION, Manganese Superoxide Dismutase
Authors:Fluckiger, S, Mittl, P.R.E, Scapozza, L, Fijten, H, Folkers, G, Grutter, M.G, Blaser, K, Crameri, R.
Deposit date:2001-12-07
Release date:2001-12-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparison of the crystal structures of the human manganese superoxide dismutase and the homologous Aspergillus fumigatus allergen at 2-A resolution.
J.Immunol., 168, 2002
1DM0
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SHIGA TOXIN
Descriptor: SHIGA TOXIN A SUBUNIT, SHIGA TOXIN B SUBUNIT
Authors:Fraser, M.E, Chernaia, M.M, Kozlov, Y.V, James, M.N.
Deposit date:1999-12-13
Release date:1999-12-30
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the holotoxin from Shigella dysenteriae at 2.5 A resolution.
Nat.Struct.Biol., 1, 1994
5TUP
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X-ray Crystal Structure of the Aspergillus fumigatus Sliding Clamp
Descriptor: Proliferating cell nuclear antigen
Authors:Bruning, J.B, Marshall, A.C, Kroker, A.J, Wegener, K.L, Rajapaksha, H.
Deposit date:2016-11-06
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Structure of the sliding clamp from the fungal pathogen Aspergillus fumigatus (AfumPCNA) and interactions with Human p21.
FEBS J., 284, 2017
3GYX
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BU of 3gyx by Molmil
Crystal structure of adenylylsulfate reductase from Desulfovibrio gigas
Descriptor: Adenylylsulfate Reductase, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER
Authors:Chiang, Y.-L, Hsieh, Y.-C, Liu, E.-H, Liu, M.-Y, Chen, C.-J.
Deposit date:2009-04-06
Release date:2009-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of Adenylylsulfate reductase from Desulfovibrio gigas suggests a potential self-regulation mechanism involving the C terminus of the beta-subunit
J.Bacteriol., 191, 2009
1SK9
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Crystallographic snapshots of Aspergillus fumigatus phytase revealing its enzymatic dynamics
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-phytase A, PHOSPHATE ION
Authors:Liu, Q, Huang, Q, Lei, X.G, Hao, Q.
Deposit date:2004-03-04
Release date:2004-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics
Structure, 12, 2004
4JUU
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Crystal structure of a putative hydroxyproline epimerase from xanthomonas campestris (TARGET EFI-506516) with bound phosphate and unknown ligand
Descriptor: CHLORIDE ION, Epimerase, PHOSPHATE ION, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-03-25
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a putative hydroxyproline epimerase from xanthomonas campestris (TARGET EFI-506516) with bound phosphate and unknown ligand
To be Published
1SKA
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BU of 1ska by Molmil
Crystallographic snapshots of Aspergillus fumigatus phytase revealing its enzymatic dynamics
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-phytase A
Authors:Liu, Q, Huang, Q, Lei, X.G, Hao, Q.
Deposit date:2004-03-04
Release date:2004-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics
Structure, 12, 2004
2H9X
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BU of 2h9x by Molmil
NMR structure for the CgNa toxin from the sea anemone Condylactis gigantea
Descriptor: Toxin CgNa
Authors:Lopez-Mendez, B, Perez-Castells, J, Gimenez-Gallego, G, Jimenez-Barbero, J.
Deposit date:2006-06-12
Release date:2007-06-05
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:CgNa, a type I toxin from the giant Caribbean sea anemone Condylactis gigantea shows structural similarities to both type I and II toxins, as well as distinctive structural and functional properties(1).
Biochem.J., 406, 2007
3FC0
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1.8 A crystal structure of murine GITR ligand dimer expressed in Drosophila melanogaster S2 cells
Descriptor: ACETATE ION, GITR ligand
Authors:Chattopadhyay, K, Ramagopal, U.A, Nathenson, S.G, Almo, S.C.
Deposit date:2008-11-20
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:1.8 A structure of murine GITR ligand dimer expressed in Drosophila melanogaster S2 cells.
Acta Crystallogr.,Sect.D, 65, 2009
5UQO
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Crystal structure of 2-methylcitrate synthase from Aspergillus fumigatus
Descriptor: 2-methylcitrate synthase, mitochondrial
Authors:Schlachter, C, Chruszcz, M.
Deposit date:2017-02-08
Release date:2018-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comparative studies of Aspergillus fumigatus 2-methylcitrate synthase and human citrate synthase.
Biol.Chem., 400, 2019
1SK8
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Crystallographic snapshots of Aspergillus fumigatus phytase revealing its enzymatic dynamics
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-phytase A, PHOSPHATE ION
Authors:Liu, Q, Huang, Q.Q, Lei, X.G, Hao, Q.
Deposit date:2004-03-04
Release date:2005-02-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics
Structure, 12, 2004
1SKB
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BU of 1skb by Molmil
Crystallographic snapshots of Aspergillus fumigatus phytase revealing its enzymatic dynamics
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-phytase A
Authors:Liu, Q, Huang, Q, Lei, X.G, Hao, Q.
Deposit date:2004-03-04
Release date:2004-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics
Structure, 12, 2004

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