6Z2F
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![BU of 6z2f by Molmil](/molmil-images/mine/6z2f) | |
5OXD
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![BU of 5oxd by Molmil](/molmil-images/mine/5oxd) | |
6Q4M
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![BU of 6q4m by Molmil](/molmil-images/mine/6q4m) | Crystal structure of the O-GlcNAc transferase Asn648Tyr mutation | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, PHOSPHATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Gundogdu, M, van Aalten, D.M.F. | Deposit date: | 2018-12-06 | Release date: | 2019-12-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the O-GlcNAc transferase Asn648Tyr mutation To Be Published
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5ZVP
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![BU of 5zvp by Molmil](/molmil-images/mine/5zvp) | Aspergillus fumigatus Rho1 F25N | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1, ... | Authors: | Wei, W.F, Van Aalten, D.M.F. | Deposit date: | 2018-05-12 | Release date: | 2019-05-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Aspergillus fumigateurs Rho1 F25N To Be Published
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7P5O
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![BU of 7p5o by Molmil](/molmil-images/mine/7p5o) | |
7OYL
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![BU of 7oyl by Molmil](/molmil-images/mine/7oyl) | Phosphoglucose isomerase of Aspergillus fumigatus in complexed with Glucose-6-phosphate | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Raimi, O.G, Yan, K, Fang, W, van Aalten, D.M.F. | Deposit date: | 2021-06-24 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis. Mbio, 13, 2022
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7PIZ
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![BU of 7piz by Molmil](/molmil-images/mine/7piz) | |
7PJC
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![BU of 7pjc by Molmil](/molmil-images/mine/7pjc) | |
7PPR
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![BU of 7ppr by Molmil](/molmil-images/mine/7ppr) | |
6EOU
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![BU of 6eou by Molmil](/molmil-images/mine/6eou) | |
4TXE
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![BU of 4txe by Molmil](/molmil-images/mine/4txe) | ScCTS1 in complex with compound 5 | Descriptor: | (2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol, Endochitinase | Authors: | Schuettelkopf, A.W, van Aalten, D.M.F. | Deposit date: | 2014-07-03 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors FEBS Lett, 588, 2014
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4TX6
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![BU of 4tx6 by Molmil](/molmil-images/mine/4tx6) | AfChiA1 in complex with compound 1 | Descriptor: | 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one, Class III chitinase ChiA1, PHOSPHATE ION | Authors: | van Aalten, D.M.F. | Deposit date: | 2014-07-02 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors FEBS Lett, 588, 2014
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1OGB
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![BU of 1ogb by Molmil](/molmil-images/mine/1ogb) | Chitinase b from Serratia marcescens mutant D142N | Descriptor: | CHITINASE B, GLYCEROL, SULFATE ION | Authors: | Vaaje-Kolstad, G, Houston, D.R, Rao, F.V, Peter, M.G, Synstad, B, van Aalten, D.M.F, Eijsink, V.G.H. | Deposit date: | 2003-04-29 | Release date: | 2004-04-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of the D142N Mutant of the Family 18 Chitinase Chib from Serratia Marcescens and its Complex with Allosamidin Biochim.Biophys.Acta, 1696, 2004
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1OGG
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![BU of 1ogg by Molmil](/molmil-images/mine/1ogg) | chitinase b from serratia marcescens mutant d142n in complex with inhibitor allosamidin | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE B, ... | Authors: | Vaaje-Kolstad, G, Houston, D.R, Rao, F.V, Peter, M.G, Synstad, B, van Aalten, D.M.F, Eijsink, V.G.H. | Deposit date: | 2003-04-30 | Release date: | 2004-04-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure of the D142N Mutant of the Family 18 Chitinase Chib from Serratia Marcescens and its Complex with Allosamidin Biochim.Biophys.Acta, 1696, 2004
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6IBO
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![BU of 6ibo by Molmil](/molmil-images/mine/6ibo) | Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, ALA-VAL-SER-ARG-ALA, PHOSPHATE ION, ... | Authors: | Gundogdu, M, van Aalten, D.M.F. | Deposit date: | 2018-11-30 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability. Proc.Natl.Acad.Sci.USA, 116, 2019
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6JIK
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![BU of 6jik by Molmil](/molmil-images/mine/6jik) | Aspergillus fumigatus Rho1 GsGTP | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1 | Authors: | Bartual, S.G, Van Aalten, D.M.F. | Deposit date: | 2019-02-22 | Release date: | 2020-09-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Aspergillus fumigatus Rho1 gSGTP complex To Be Published
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6IBU
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![BU of 6ibu by Molmil](/molmil-images/mine/6ibu) | Apo Crh5 transglycosylase | Descriptor: | GLYCEROL, Probable glycosidase crf1 | Authors: | Bartual, S.G, Fang, W, van Aalten, D.M.F. | Deposit date: | 2018-11-30 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases. Nat Commun, 10, 2019
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6IBW
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![BU of 6ibw by Molmil](/molmil-images/mine/6ibw) | Crh5 transglycosylase in complex with NAG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Probable glycosidase crf1 | Authors: | Fang, W, Bartual, S.G, van Aalten, D.M.F. | Deposit date: | 2018-12-01 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases. Nat Commun, 10, 2019
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6I5X
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![BU of 6i5x by Molmil](/molmil-images/mine/6i5x) | Crystal structure of Aspergillus fumigatus phosphomannomutase | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Zhang, Y, Raimi, O.G, Ferenbach, A.T, van Aalten, D.M.F. | Deposit date: | 2018-11-15 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Aspergillus fumigatus phosphomannomutase To Be Published
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1E2X
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![BU of 1e2x by Molmil](/molmil-images/mine/1e2x) | FadR, fatty acid responsive transcription factor from E. coli | Descriptor: | FATTY ACID METABOLISM REGULATOR PROTEIN, SULFATE ION | Authors: | Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J, Wierenga, R.K. | Deposit date: | 2000-05-30 | Release date: | 2000-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Fadr, a Fatty Acid-Responsive Transcription Factor with a Novel Acyl Coenzyme A-Binding Fold Embo J., 19, 2000
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1E6N
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![BU of 1e6n by Molmil](/molmil-images/mine/1e6n) | Chitinase B from Serratia marcescens inactive mutant E144Q in complex with N-acetylglucosamine-pentamer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE B, GLYCEROL, ... | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2000-08-21 | Release date: | 2001-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase Proc.Natl.Acad.Sci.USA, 98, 2001
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1E6R
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![BU of 1e6r by Molmil](/molmil-images/mine/1e6r) | Chitinase B from Serratia marcescens wildtype in complex with inhibitor allosamidin | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE B, ... | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2000-08-22 | Release date: | 2001-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase Proc.Natl.Acad.Sci.USA, 98, 2001
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1E6Z
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![BU of 1e6z by Molmil](/molmil-images/mine/1e6z) | CHITINASE B FROM SERRATIA MARCESCENS WILDTYPE IN COMPLEX WITH CATALYTIC INTERMEDIATE | Descriptor: | 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2000-08-23 | Release date: | 2001-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase Proc.Natl.Acad.Sci.USA, 98, 2001
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1E6P
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![BU of 1e6p by Molmil](/molmil-images/mine/1e6p) | Chitinase B from Serratia marcescens inactive mutant E144Q | Descriptor: | CHITINASE B, GLYCEROL, SULFATE ION | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2000-08-22 | Release date: | 2001-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase Proc.Natl.Acad.Sci.USA, 98, 2001
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1WCH
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![BU of 1wch by Molmil](/molmil-images/mine/1wch) | Crystal structure of PTPL1 human tyrosine phosphatase mutated in colorectal cancer - evidence for a second phosphotyrosine substrate recognition pocket | Descriptor: | PHOSPHATE ION, PROTEIN TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 13 | Authors: | Villa, F, Deak, M, Bloomberg, G.B, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2004-11-16 | Release date: | 2004-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of Ptpl1/Fap-1 Human Tyrosine Phosphatase Mutated in Colorectal Cancer: Eveidence for a Second Phosphotyrosine Substrate Recognition Pocket J.Biol.Chem., 280, 2005
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