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1W5X
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HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor
Descriptor: (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN
Authors:Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T.
Deposit date:2004-08-10
Release date:2004-12-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
1W5W
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HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor
Descriptor: (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN
Authors:Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T.
Deposit date:2004-08-10
Release date:2004-12-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
7WAB
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BU of 7wab by Molmil
Crystal structure of the prolyl endoprotease, PEP, from Aspergillus niger
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPASS (Complex proteins associated with Set1p) component shg1 family protein, ...
Authors:Miyazono, K, Kubota, K, Takahashi, K, Tanokura, M.
Deposit date:2021-12-14
Release date:2022-01-12
Last modified:2022-02-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure and substrate recognition mechanism of the prolyl endoprotease PEP from Aspergillus niger.
Biochem.Biophys.Res.Commun., 591, 2022
6G9V
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BU of 6g9v by Molmil
Crystal structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase(AfUAP1) in complex with UDPGlcNAc, pyrophosphate and Mg2+
Descriptor: MAGNESIUM ION, PYROPHOSPHATE, UDP-N-acetylglucosamine pyrophosphorylase, ...
Authors:Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor
RSC Chem. Biol., 2020
6G9W
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Crystal Structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase in complex with UTP
Descriptor: UDP-N-acetylglucosamine pyrophosphorylase, URIDINE 5'-TRIPHOSPHATE
Authors:Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor
RSC Chem. Biol., 2020
6GUO
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Siderophore hydrolase EstA from Aspergillus nidulans
Descriptor: CHLORIDE ION, GLYCEROL, Putative siderophore-degrading esterase (Eurofung), ...
Authors:Ecker, F, Haas, H, Groll, M, Huber, E.M.
Deposit date:2018-06-19
Release date:2018-08-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GUI
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BU of 6gui by Molmil
Siderophore hydrolase EstB mutant H267N from Aspergillus fumigatus
Descriptor: GLYCEROL, Siderophore esterase IroE-like, putative
Authors:Ecker, F, Haas, H, Groll, M, Huber, E.M.
Deposit date:2018-06-19
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GSG
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Crystal structure of Aspergillus oryzae catechol oxidase complexed with resorcinol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Catechol oxidase, ...
Authors:Penttinen, L, Hakulinen, N, Rouvinen, J.
Deposit date:2018-06-14
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.192 Å)
Cite:Unraveling Substrate Specificity and Catalytic Promiscuity of Aspergillus oryzae Catechol Oxidase.
Chembiochem, 19, 2018
6GUD
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Siderophore hydrolase EstB from Aspergillus fumigatus
Descriptor: CARBONATE ION, GLYCEROL, SULFATE ION, ...
Authors:Ecker, F, Haas, H, Groll, M, Huber, E.M.
Deposit date:2018-06-19
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GUP
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Siderophore hydrolase EstB from Aspergillus fumigatus
Descriptor: GLYCEROL, Siderophore biosynthesis lipase/esterase, putative
Authors:Ecker, F, Haas, H, Groll, M, Huber, E.M.
Deposit date:2018-06-19
Release date:2018-08-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GUR
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BU of 6gur by Molmil
Siderophore hydrolase EstB from Aspergillus fumigatus in complex with TAFC
Descriptor: (~{Z})-5-[(1~{S},2~{S})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{N},3-dimethyl-~{N}-oxidanyl-pent-2-enamide, CARBONATE ION, FE (III) ION, ...
Authors:Ecker, F, Haas, H, Groll, M, Huber, E.M.
Deposit date:2018-06-19
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
7A1A
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2,3-Dihydroxybenzoate Decarboxylase of Aspergillus oryzae
Descriptor: Amidohydrolase 2, CALCIUM ION, MAGNESIUM ION
Authors:Hofer, G, Keller, W.
Deposit date:2020-08-12
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus oryzae.
Chembiochem, 22, 2021
7A19
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BU of 7a19 by Molmil
2,3-Dihydroxybenzoate Decarboxylase of Aspergillus oryzae
Descriptor: Amidohydrolase 2, MAGNESIUM ION
Authors:Hofer, G, Keller, W.
Deposit date:2020-08-12
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus oryzae.
Chembiochem, 22, 2021
6GUL
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BU of 6gul by Molmil
Siderophore hydrolase EstB mutant E211Q from Aspergillus fumigatus
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Ecker, F, Haas, H, Groll, M, Huber, E.M.
Deposit date:2018-06-19
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GUG
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BU of 6gug by Molmil
Siderophore hydrolase EstB mutant S148A from Aspergillus fumigatus
Descriptor: GLYCEROL, SULFATE ION, Siderophore esterase IroE-like, ...
Authors:Ecker, F, Haas, H, Groll, M, Huber, E.M.
Deposit date:2018-06-19
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
6I1A
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BU of 6i1a by Molmil
Crystal structure of rutinosidase from Aspergillus niger
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, rutinosidase
Authors:Pachl, P, Rezacova, P, Kapesova, J.
Deposit date:2018-10-28
Release date:2020-01-29
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Rutinosidase from Aspergillus niger: crystal structure and insight into the enzymatic activity.
Febs J., 287, 2020
1RNR
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BU of 1rnr by Molmil
AUTOCATALYTIC GENERATION OF DOPA IN THE ENGINEERED PROTEIN R2 F208Y FROM ESCHERICHIA COLI RIBONUCLEOTIDE REDUCTASE AND CRYSTAL STRUCTURE OF THE DOPA-208 PROTEIN
Descriptor: FE (III) ION, MERCURY (II) ION, RIBONUCLEOTIDE REDUCTASE R1 PROTEIN
Authors:Aberg, A, Nordlund, P.
Deposit date:1993-04-26
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Autocatalytic generation of dopa in the engineered protein R2 F208Y from Escherichia coli ribonucleotide reductase and crystal structure of the dopa-208 protein.
Biochemistry, 32, 1993
1UET
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BU of 1uet by Molmil
Divergent evolutions of trinucleotide polymerization revealed by an archaeal CCA-adding enzyme structure
Descriptor: ACETATE ION, CALCIUM ION, MAGNESIUM ION, ...
Authors:Nureki, O, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-21
Release date:2003-12-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Divergent evolutions of trinucleotide polymerization revealed by an archaeal CCA-adding enzyme structure.
Embo J., 22, 2003
1UEU
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BU of 1ueu by Molmil
Divergent evolutions of trinucleotide polymerization revealed by an archaeal CCA-adding enzyme structure
Descriptor: ACETATE ION, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Nureki, O, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-21
Release date:2003-12-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Divergent evolutions of trinucleotide polymerization revealed by an archaeal CCA-adding enzyme structure.
Embo J., 22, 2003
7MO6
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BU of 7mo6 by Molmil
Guanosine Monophosphate Synthase from Aspergillus fumigatus Af293
Descriptor: GMP synthase [glutamine-hydrolyzing]
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2021-05-01
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the antifungal drug target guanosine monophosphate synthase from Aspergillus fumigatus.
Acta Crystallogr D Struct Biol, 78, 2022
7A3M
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BU of 7a3m by Molmil
Synergistic stabilization of a double mutant in CI2 from an in-cell library screen
Descriptor: Subtilisin-chymotrypsin inhibitor-2A
Authors:Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V.
Deposit date:2020-08-18
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
8HMM
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BU of 8hmm by Molmil
Crystal structure of AoRhaA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bac_rhamnosid6H domain-containing protein
Authors:Makabe, K, Koseki, T.
Deposit date:2022-12-05
Release date:2023-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Aspergillus oryzae alpha-l-rhamnosidase: Crystal structure and insight into the substrate specificity.
Proteins, 92, 2024
6ZLO
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BU of 6zlo by Molmil
E2 core of the fungal Pyruvate dehydrogenase complex with asymmetric interior PX30 component
Descriptor: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial
Authors:Forsberg, B.O, Howard, R.J, Aibara, S, Mortesaei, N, Lindahl, E.
Deposit date:2020-06-30
Release date:2020-09-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Arrangement and symmetry of the fungal E3BP-containing core of the pyruvate dehydrogenase complex.
Nat Commun, 11, 2020
6ZLM
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BU of 6zlm by Molmil
Dihydrolipoyllysine-residue acetyltransferase component of fungal pyruvate dehydrogenase complex with protein X bound
Descriptor: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial, Pyruvate dehydrogenase X component
Authors:Forsberg, B.O, Aibara, S, Howard, R.J, Mortezaei, N, Lindahl, E.
Deposit date:2020-06-30
Release date:2020-09-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Arrangement and symmetry of the fungal E3BP-containing core of the pyruvate dehydrogenase complex.
Nat Commun, 11, 2020
1FI1
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BU of 1fi1 by Molmil
FhuA in complex with lipopolysaccharide and rifamycin CGP4832
Descriptor: 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ...
Authors:Ferguson, A.D, Koedding, J, Boes, C, Walker, G, Coulton, J.W, Diederichs, K, Braun, V, Welte, W.
Deposit date:2000-08-03
Release date:2001-08-29
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Active transport of an antibiotic rifamycin derivative by the outer-membrane protein FhuA.
Structure, 9, 2001

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數據於2024-07-24公開中

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